[(8R,9S,13S,14S,17S)-2-ethoxy-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-sulfamoylbenzoate

Systemtic Name: [(8R,9S,13S,14S,17S)-2-ethoxy-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-sulfamoylbenzoate Openeye Name: [(8R,9S,13S,14S,17S)-2-ethoxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-sulfamoylbenzoate CAS Name: 3-sulfamoylbenzoic acid [(8R,9S,13S,14S,17S)-2-ethoxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester IUPAC Name: [(8R,9S,13S,14S,17S)-2-ethoxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-sulfamoylbenzoate Traditional Name: 3-sulfamoylbenzoic acid [(8R,9S,13S,14S,17S)-2-ethoxy-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C27H33NO6S MolecularWeight: 499.61902

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2CCC3C(C2=C1)CCC4(C3CCC4OC(=O)C5=CC(=CC=C5)S(=O)(=O)N)C)O

Isomeric SMILES

CCOC1=C(C=C2CC[C@@H]3[C@@H](C2=C1)CC[C@]4([C@H]3CC[C@@H]4OC(=O)C5=CC(=CC=C5)S(=O)(=O)N)C)O

InChI

InChI=1S/C27H33NO6S/c1-3-33-24-15-21-16(14-23(24)29)7-8-20-19(21)11-12-27(2)22(20)9-10-25(27)34-26(30)17-5-4-6-18(13-17)35(28,31)32/h4-6,13-15,19-20,22,25,29H,3,7-12H2,1-2H3,(H2,28,31,32)/t19-,20+,22-,25-,27-/m0/s1