N-(4-acetamidophenyl)sulfonyl-2-[(8R,9S,13S,14S,17R)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanamide

Systemtic Name: N-(4-acetamidophenyl)sulfonyl-2-[(8R,9S,13S,14S,17R)-13-methyl-3,17-bis(oxidanyl)-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethanamide Openeye Name: N-(4-acetamidophenyl)sulfonyl-2-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetamide CAS Name: N-(4-acetamidophenyl)sulfonyl-2-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetamide IUPAC Name: N-(4-acetamidophenyl)sulfonyl-2-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetamide Traditional Name: N-(4-acetamidophenyl)sulfonyl-2-[(8R,9S,13S,14S,17R)-3,17-dihydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]acetamide Formula: C28H34N2O6S MolecularWeight: 526.64436

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)CC2(CCC3C2(CCC4C3CCC5=C4C=CC(=C5)O)C)O

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C[C@@]2(CC[C@@H]3[C@@]2(CC[C@H]4[C@H]3CCC5=C4C=CC(=C5)O)C)O

InChI

InChI=1S/C28H34N2O6S/c1-17(31)29-19-4-7-21(8-5-19)37(35,36)30-26(33)16-28(34)14-12-25-24-9-3-18-15-20(32)6-10-22(18)23(24)11-13-27(25,28)2/h4-8,10,15,23-25,32,34H,3,9,11-14,16H2,1-2H3,(H,29,31)(H,30,33)/t23-,24-,25+,27+,28-/m1/s1