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

Systemtic Name: [(8R,9S,13S,14S,17S)-3-acetyloxy-8-ethyl-13-methyl-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-acetoxy-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-acetyloxy-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-acetyloxy-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-acetoxy-8-ethyl-13-methyl-7,9,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] ester Formula: C29H35NO6S MolecularWeight: 525.6563

Click to see the large picture

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)C

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)C

InChI

InChI=1S/C29H35NO6S/c1-4-29-16-13-20-17-21(35-18(2)31)7-10-23(20)24(29)14-15-28(3)25(29)11-12-26(28)36-27(32)19-5-8-22(9-6-19)37(30,33)34/h5-10,17,24-26H,4,11-16H2,1-3H3,(H2,30,33,34)/t24-,25-,26+,28+,29-/m1/s1