4-chloranyl-13-methyl-11-[4-(2-piperidin-1-ylethylsulfinyl)phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol

Systemtic Name: 4-chloranyl-13-methyl-11-[4-(2-piperidin-1-ylethylsulfinyl)phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Openeye Name: 4-chloro-13-methyl-11-[4-[2-(1-piperidyl)ethylsulfinyl]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol CAS Name: 4-chloro-13-methyl-11-[4-[2-(1-piperidinyl)ethylsulfinyl]phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol IUPAC Name: 4-chloro-13-methyl-11-[4-(2-piperidin-1-ylethylsulfinyl)phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Traditional Name: 4-chloro-13-methyl-11-[4-(2-piperidinoethylsulfinyl)phenyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol Formula: C31H40ClNO3S MolecularWeight: 542.1722

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Descriptors Computed from Structure

Canonical SMILES:

CC12CC(C3C(C1CCC2O)CCC4=C3C=CC(=C4Cl)O)C5=CC=C(C=C5)S(=O)CCN6CCCCC6

Isomeric SMILES

CC12CC(C3C(C1CCC2O)CCC4=C3C=CC(=C4Cl)O)C5=CC=C(C=C5)S(=O)CCN6CCCCC6

InChI

InChI=1S/C31H40ClNO3S/c1-31-19-25(20-5-7-21(8-6-20)37(36)18-17-33-15-3-2-4-16-33)29-22-11-13-27(34)30(32)23(22)9-10-24(29)26(31)12-14-28(31)35/h5-8,11,13,24-26,28-29,34-35H,2-4,9-10,12,14-19H2,1H3