2-(4-dimethylaminophenyl)-17-[2-(4-ethylsulfonylphenyl)ethynyl]-13-methyl-17-oxidanyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one

Systemtic Name: 2-(4-dimethylaminophenyl)-17-[2-(4-ethylsulfonylphenyl)ethynyl]-13-methyl-17-oxidanyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Openeye Name: 2-(4-dimethylaminophenyl)-17-[2-(4-ethylsulfonylphenyl)ethynyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one CAS Name: 2-(4-dimethylaminophenyl)-17-[2-(4-ethylsulfonylphenyl)ethynyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one IUPAC Name: 2-(4-dimethylaminophenyl)-17-[2-(4-ethylsulfonylphenyl)ethynyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Traditional Name: 2-(4-dimethylaminophenyl)-17-[2-(4-esylphenyl)ethynyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one Formula: C36H41NO4S MolecularWeight: 583.78004

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC=C(C=C1)C#CC2(CCC3C2(CCC4=C5CC(C(=O)C=C5CCC34)C6=CC=C(C=C6)N(C)C)C)O

Isomeric SMILES

CCS(=O)(=O)C1=CC=C(C=C1)C#CC2(CCC3C2(CCC4=C5CC(C(=O)C=C5CCC34)C6=CC=C(C=C6)N(C)C)C)O

InChI

InChI=1S/C36H41NO4S/c1-5-42(40,41)28-13-6-24(7-14-28)16-20-36(39)21-18-33-30-15-10-26-22-34(38)32(25-8-11-27(12-9-25)37(3)4)23-31(26)29(30)17-19-35(33,36)2/h6-9,11-14,22,30,32-33,39H,5,10,15,17-19,21,23H2,1-4H3