[(8R,9S,13S,14S,17S)-3-acetyloxy-8,13-dimethyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 3-sulfamoylbenzoate

Systemtic Name: [(8R,9S,13S,14S,17S)-3-acetyloxy-8,13-dimethyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 3-sulfamoylbenzoate Openeye Name: [(8R,9S,13S,14S,17S)-3-acetoxy-8,13-dimethyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 3-sulfamoylbenzoate CAS Name: 3-sulfamoylbenzoic acid [(8R,9S,13S,14S,17S)-3-acetyloxy-8,13-dimethyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-3-acetyloxy-8,13-dimethyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 3-sulfamoylbenzoate Traditional Name: 3-sulfamoylbenzoic acid [(8R,9S,13S,14S,17S)-3-acetoxy-8,13-dimethyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester Formula: C28H33NO6S MolecularWeight: 511.62972

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3(CC2)C)CCC4OC(=O)C5=CC(=CC=C5)S(=O)(=O)N)C

Isomeric SMILES

CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@]3(CC2)C)CC[C@@H]4OC(=O)C5=CC(=CC=C5)S(=O)(=O)N)C

InChI

InChI=1S/C28H33NO6S/c1-17(30)34-20-7-8-22-18(15-20)11-13-27(2)23(22)12-14-28(3)24(27)9-10-25(28)35-26(31)19-5-4-6-21(16-19)36(29,32)33/h4-8,15-16,23-25H,9-14H2,1-3H3,(H2,29,32,33)/t23-,24+,25+,27-,28+/m1/s1