9910393
  -OEChem-04242409022D

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M  END
> <PUBCHEM_COMPOUND_CID>
9910393

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
684

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
5

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAaMEAAAwAAAAAAAAAGABwAAAHgQQSAAADEyh2AIzxYLABkKIAixS0HDCCBAlIAAAiBkGTMiMJzbEtZuGeSjl5BNI+afagMAOwAACQAASAACAAASAACQAAAAACAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[4-(1-hydroxy-1-methyl-ethyl)-2-furyl]sulfonyl]urea

> <PUBCHEM_IUPAC_CAS_NAME>
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[4-(2-hydroxypropan-2-yl)-2-furanyl]sulfonyl]urea

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea

> <PUBCHEM_IUPAC_NAME>
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-hydroxypropan-2-yl)furan-2-yl]sulfonylurea

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[4-(2-oxidanylpropan-2-yl)furan-2-yl]sulfonyl-urea

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)-3-[[4-(1-hydroxy-1-methyl-ethyl)-2-furyl]sulfonyl]urea

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)

> <PUBCHEM_IUPAC_INCHIKEY>
HUUSXLKCTQDPGL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.4

> <PUBCHEM_EXACT_MASS>
404.14059304

> <PUBCHEM_MOLECULAR_FORMULA>
C20H24N2O5S

> <PUBCHEM_MOLECULAR_WEIGHT>
404.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(C)(C1=COC(=C1)S(=O)(=O)NC(=O)NC2=C3CCCC3=CC4=C2CCC4)O

> <PUBCHEM_CACTVS_TPSA>
117

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
404.14059304

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <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  12  8
10  17  8
11  20  8
12  20  8
2  24  8
2  28  8
23  25  8
23  28  8
24  25  8
9  11  8
9  17  8

$$$$
