6-(5-chloranyl-1-oxidanyl-1-phenyl-pentan-3-yl)-1,3-dimethyl-4-(phenylmethyl)-5-sulfamoyl-indole-2-carboxylic acid

Systemtic Name: 6-(5-chloranyl-1-oxidanyl-1-phenyl-pentan-3-yl)-1,3-dimethyl-4-(phenylmethyl)-5-sulfamoyl-indole-2-carboxylic acid Openeye Name: 4-benzyl-6-[1-(2-chloroethyl)-3-hydroxy-3-phenyl-propyl]-1,3-dimethyl-5-sulfamoyl-indole-2-carboxylic acid CAS Name: 6-(5-chloro-1-hydroxy-1-phenylpentan-3-yl)-1,3-dimethyl-4-(phenylmethyl)-5-sulfamoyl-2-indolecarboxylic acid IUPAC Name: 4-benzyl-6-(5-chloro-1-hydroxy-1-phenylpentan-3-yl)-1,3-dimethyl-5-sulfamoylindole-2-carboxylic acid Traditional Name: 4-benzyl-6-[1-(2-chloroethyl)-3-hydroxy-3-phenyl-propyl]-1,3-dimethyl-5-sulfamoyl-indole-2-carboxylic acid Formula: C29H31ClN2O5S MolecularWeight: 555.08484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C2=C1C(=C(C(=C2)C(CCCl)CC(C3=CC=CC=C3)O)S(=O)(=O)N)CC4=CC=CC=C4)C)C(=O)O

Isomeric SMILES

CC1=C(N(C2=C1C(=C(C(=C2)C(CCCl)CC(C3=CC=CC=C3)O)S(=O)(=O)N)CC4=CC=CC=C4)C)C(=O)O

InChI

InChI=1S/C29H31ClN2O5S/c1-18-26-23(15-19-9-5-3-6-10-19)28(38(31,36)37)22(17-24(26)32(2)27(18)29(34)35)21(13-14-30)16-25(33)20-11-7-4-8-12-20/h3-12,17,21,25,33H,13-16H2,1-2H3,(H,34,35)(H2,31,36,37)