17-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylethanoyl]-10,13-dimethyl-11,17-bis(oxidanyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one

Systemtic Name: 17-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylethanoyl]-10,13-dimethyl-11,17-bis(oxidanyl)-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Openeye Name: 17-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one CAS Name: 17-[2-[[4-[bis(2-chloroethyl)amino]phenyl]thio]-1-oxoethyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one IUPAC Name: 17-[2-[4-[bis(2-chloroethyl)amino]phenyl]sulfanylacetyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Traditional Name: 17-[2-[[4-[bis(2-chloroethyl)amino]phenyl]thio]acetyl]-11,17-dihydroxy-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one Formula: C31H41Cl2NO4S MolecularWeight: 594.63254

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CSC5=CC=C(C=C5)N(CCCl)CCCl)O)C)O

Isomeric SMILES

CC12CCC(=O)C=C1CCC3C2C(CC4(C3CCC4(C(=O)CSC5=CC=C(C=C5)N(CCCl)CCCl)O)C)O

InChI

InChI=1S/C31H41Cl2NO4S/c1-29-11-9-22(35)17-20(29)3-8-24-25-10-12-31(38,30(25,2)18-26(36)28(24)29)27(37)19-39-23-6-4-21(5-7-23)34(15-13-32)16-14-33/h4-7,17,24-26,28,36,38H,3,8-16,18-19H2,1-2H3