[16-[4-[bis(2-chloroethyl)amino]phenyl]sulfanyl-17-ethanoyl-10,13-dimethyl-12-oxidanylidene-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate

Systemtic Name: [16-[4-[bis(2-chloroethyl)amino]phenyl]sulfanyl-17-ethanoyl-10,13-dimethyl-12-oxidanylidene-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ethanoate Openeye Name: [17-acetyl-16-[4-[bis(2-chloroethyl)amino]phenyl]sulfanyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate CAS Name: acetic acid [17-acetyl-16-[[4-[bis(2-chloroethyl)amino]phenyl]thio]-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester IUPAC Name: [17-acetyl-16-[4-[bis(2-chloroethyl)amino]phenyl]sulfanyl-10,13-dimethyl-12-oxo-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] acetate Traditional Name: acetic acid [17-acetyl-16-[[4-[bis(2-chloroethyl)amino]phenyl]thio]-12-keto-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] ester Formula: C33H45Cl2NO4S MolecularWeight: 622.6857

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C(CC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)SC5=CC=C(C=C5)N(CCCl)CCCl

Isomeric SMILES

CC(=O)C1C(CC2C1(C(=O)CC3C2CCC4C3(CCC(C4)OC(=O)C)C)C)SC5=CC=C(C=C5)N(CCCl)CCCl

InChI

InChI=1S/C33H45Cl2NO4S/c1-20(37)31-29(41-25-8-6-23(7-9-25)36(15-13-34)16-14-35)18-28-26-10-5-22-17-24(40-21(2)38)11-12-32(22,3)27(26)19-30(39)33(28,31)4/h6-9,22,24,26-29,31H,5,10-19H2,1-4H3