(13S,17R)-17-[(4-tert-butylphenyl)methyl]-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-sulfonamide

Systemtic Name: (13S,17R)-17-[(4-tert-butylphenyl)methyl]-13-methyl-17-oxidanyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-sulfonamide Openeye Name: (13S,17R)-17-[(4-tert-butylphenyl)methyl]-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-sulfonamide CAS Name: (13S,17R)-17-[(4-tert-butylphenyl)methyl]-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-sulfonamide IUPAC Name: (13S,17R)-17-[(4-tert-butylphenyl)methyl]-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-sulfonamide Traditional Name: (13S,17R)-17-(4-tert-butylbenzyl)-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-sulfonamide Formula: C29H39NO3S MolecularWeight: 481.68986

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2(CC4=CC=C(C=C4)C(C)(C)C)O)CCC5=C3C=CC(=C5)S(=O)(=O)N

Isomeric SMILES

C[C@]12CCC3C(C1CC[C@]2(CC4=CC=C(C=C4)C(C)(C)C)O)CCC5=C3C=CC(=C5)S(=O)(=O)N

InChI

InChI=1S/C29H39NO3S/c1-27(2,3)21-8-5-19(6-9-21)18-29(31)16-14-26-25-11-7-20-17-22(34(30,32)33)10-12-23(20)24(25)13-15-28(26,29)4/h5-6,8-10,12,17,24-26,31H,7,11,13-16,18H2,1-4H3,(H2,30,32,33)/t24?,25?,26?,28-,29+/m0/s1