[(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,4-bis(chloranyl)-5-sulfamoyl-benzoate

Systemtic Name: [(8R,9S,13S,14S,17S)-2-methoxy-13-methyl-3-oxidanyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,4-bis(chloranyl)-5-sulfamoyl-benzoate Openeye Name: [(8R,9S,13S,14S,17S)-3-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,4-dichloro-5-sulfamoyl-benzoate CAS Name: 2,4-dichloro-5-sulfamoylbenzoic acid [(8R,9S,13S,14S,17S)-3-hydroxy-2-methoxy-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)-3-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 2,4-dichloro-5-sulfamoylbenzoate Traditional Name: 2,4-dichloro-5-sulfamoyl-benzoic acid [(8R,9S,13S,14S,17S)-3-hydroxy-2-methoxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] ester Formula: C26H29Cl2NO6S MolecularWeight: 554.48256

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2OC(=O)C4=CC(=C(C=C4Cl)Cl)S(=O)(=O)N)CCC5=CC(=C(C=C35)OC)O

Isomeric SMILES

C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)C4=CC(=C(C=C4Cl)Cl)S(=O)(=O)N)CCC5=CC(=C(C=C35)OC)O

InChI

InChI=1S/C26H29Cl2NO6S/c1-26-8-7-14-15(4-3-13-9-21(30)22(34-2)10-16(13)14)18(26)5-6-24(26)35-25(31)17-11-23(36(29,32)33)20(28)12-19(17)27/h9-12,14-15,18,24,30H,3-8H2,1-2H3,(H2,29,32,33)/t14-,15+,18-,24-,26-/m0/s1