121582256
  -OEChem-06192423262D

 34 34  0     1  0  0  0  0  0999 V2000
    5.1498    1.6522    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.0549    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0343   -0.9096    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9645    1.0892    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0895    1.3102    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2101    1.9942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8901   -1.5308    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3078   -0.8263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4918    2.5919    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8078    0.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.9988    0.1247    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6168    0.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3078   -0.8263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9994    0.0898    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8956   -1.6354    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4766    2.7655    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8490    3.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4888   -2.5489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0766   -3.3579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3126    1.0856    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6432   -0.3832    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1832   -0.1275    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9268    0.6616    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7014   -0.9553    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3726   -1.4430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5843    2.1550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0872    2.8732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3690    3.3761    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3240    3.7564    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4505    3.8329    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3741    2.9594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8722   -2.6137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8245   -3.9243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6932   -3.2931    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  2  0  0  0  0
  1  6  2  0  0  0  0
  1  9  1  0  0  0  0
 10  1  1  6  0  0  0
  2 14  1  0  0  0  0
  3 14  1  0  0  0  0
  4 14  1  0  0  0  0
  7 15  2  0  0  0  0
  8 12  1  0  0  0  0
  8 13  1  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 20  1  0  0  0  0
 11 13  1  0  0  0  0
 11 14  1  1  0  0  0
 11 21  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 15 18  1  0  0  0  0
 16 26  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 18 19  2  0  0  0  0
 18 32  1  0  0  0  0
 19 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
121582256

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
467

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
7

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMYBAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHwQAQAAADQDFwBSCAAMAAAKIACFSEHDAAAAAAAAIAAAIAEAAAAAAgAAEAAAABgCAAIAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S,4S)-N,N-dimethyl-1-prop-2-enoyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide

> <PUBCHEM_IUPAC_CAS_NAME>
(3S,4S)-N,N-dimethyl-1-(1-oxoprop-2-enyl)-4-(trifluoromethyl)-3-pyrrolidinesulfonamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>S</I>,4<I>S</I>)-<I>N</I>,<I>N</I>-dimethyl-1-prop-2-enoyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide

> <PUBCHEM_IUPAC_NAME>
(3S,4S)-N,N-dimethyl-1-prop-2-enoyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S,4S)-N,N-dimethyl-1-prop-2-enoyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S,4S)-1-acryloyl-N,N-dimethyl-4-(trifluoromethyl)pyrrolidine-3-sulfonamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C10H15F3N2O3S/c1-4-9(16)15-5-7(10(11,12)13)8(6-15)19(17,18)14(2)3/h4,7-8H,1,5-6H2,2-3H3/t7-,8-/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
BKUKHKOUWIETEK-HTQZYQBOSA-N

> <PUBCHEM_XLOGP3_AA>
0.8

> <PUBCHEM_EXACT_MASS>
300.07554800

> <PUBCHEM_MOLECULAR_FORMULA>
C10H15F3N2O3S

> <PUBCHEM_MOLECULAR_WEIGHT>
300.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(C)S(=O)(=O)C1CN(CC1C(F)(F)F)C(=O)C=C

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(C)S(=O)(=O)[C@@H]1CN(C[C@H]1C(F)(F)F)C(=O)C=C

> <PUBCHEM_CACTVS_TPSA>
66.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
300.07554800

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  1  6
11  14  5

$$$$
