[(8R,9S,13S,14S,17S)-8-ethyl-13-methyl-3-(phenylcarbonyloxy)-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 4-sulfamoylbenzoate

Systemtic Name: [(8R,9S,13S,14S,17S)-8-ethyl-13-methyl-3-(phenylcarbonyloxy)-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 4-sulfamoylbenzoate Openeye Name: [(8R,9S,13S,14S,17S)-3-benzoyloxy-8-ethyl-13-methyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 4-sulfamoylbenzoate CAS Name: 4-sulfamoylbenzoic acid [(8R,9S,13S,14S,17S)-3-benzoyloxy-8-ethyl-13-methyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-3-benzoyloxy-8-ethyl-13-methyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] 4-sulfamoylbenzoate Traditional Name: 4-sulfamoylbenzoic acid [(8R,9S,13S,14S,17S)-3-benzoyloxy-8-ethyl-13-methyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester Formula: C34H37NO6S MolecularWeight: 587.72568

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CCC3=C(C1CCC4(C2CCC4OC(=O)C5=CC=C(C=C5)S(=O)(=O)N)C)C=CC(=C3)OC(=O)C6=CC=CC=C6

Isomeric SMILES

CC[C@@]12CCC3=C([C@H]1CC[C@]4([C@H]2CC[C@@H]4OC(=O)C5=CC=C(C=C5)S(=O)(=O)N)C)C=CC(=C3)OC(=O)C6=CC=CC=C6

InChI

InChI=1S/C34H37NO6S/c1-3-34-20-17-24-21-25(40-31(36)22-7-5-4-6-8-22)11-14-27(24)28(34)18-19-33(2)29(34)15-16-30(33)41-32(37)23-9-12-26(13-10-23)42(35,38)39/h4-14,21,28-30H,3,15-20H2,1-2H3,(H2,35,38,39)/t28-,29-,30+,33+,34-/m1/s1