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

Systemtic Name: 2-(4-dimethylaminophenyl)-N-methyl-N-[2-(13-methyl-17-oxidanyl-3-oxidanylidene-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)ethynyl]benzenesulfonamide Openeye Name: 2-(4-dimethylaminophenyl)-N-[2-(17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)ethynyl]-N-methyl-benzenesulfonamide CAS Name: 2-(4-dimethylaminophenyl)-N-[2-(17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)ethynyl]-N-methylbenzenesulfonamide IUPAC Name: 2-(4-dimethylaminophenyl)-N-[2-(17-hydroxy-13-methyl-3-oxo-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)ethynyl]-N-methylbenzenesulfonamide Traditional Name: 2-(4-dimethylaminophenyl)-N-[2-(17-hydroxy-3-keto-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-17-yl)ethynyl]-N-methyl-benzenesulfonamide Formula: C35H40N2O4S MolecularWeight: 584.7681

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(C#CN(C)S(=O)(=O)C5=CC=CC=C5C6=CC=C(C=C6)N(C)C)O

Isomeric SMILES

CC12CCC3=C4CCC(=O)C=C4CCC3C1CCC2(C#CN(C)S(=O)(=O)C5=CC=CC=C5C6=CC=C(C=C6)N(C)C)O

InChI

InChI=1S/C35H40N2O4S/c1-34-19-17-30-28-16-14-27(38)23-25(28)11-15-31(30)32(34)18-20-35(34,39)21-22-37(4)42(40,41)33-8-6-5-7-29(33)24-9-12-26(13-10-24)36(2)3/h5-10,12-13,23,31-32,39H,11,14-20H2,1-4H3