5-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1-[[4-(trifluoromethylsulfamoyl)phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 5-[2-[[2-(3-chlorophenyl)-2-oxidanyl-ethyl]amino]propyl]-1-[[4-(trifluoromethylsulfamoyl)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1-[[4-(trifluoromethylsulfamoyl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1-[[4-(trifluoromethylsulfamoyl)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]propyl]-1-[[4-(trifluoromethylsulfamoyl)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 5-[2-[[2-(3-chlorophenyl)-2-hydroxy-ethyl]amino]propyl]-1-[4-(trifluoromethylsulfamoyl)benzyl]indole-2-carboxylic acid Formula: C28H27ClF3N3O5S MolecularWeight: 610.04429

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=C(C=C3)S(=O)(=O)NC(F)(F)F)NCC(C4=CC(=CC=C4)Cl)O

Isomeric SMILES

CC(CC1=CC2=C(C=C1)N(C(=C2)C(=O)O)CC3=CC=C(C=C3)S(=O)(=O)NC(F)(F)F)NCC(C4=CC(=CC=C4)Cl)O

InChI

InChI=1S/C28H27ClF3N3O5S/c1-17(33-15-26(36)20-3-2-4-22(29)13-20)11-19-7-10-24-21(12-19)14-25(27(37)38)35(24)16-18-5-8-23(9-6-18)41(39,40)34-28(30,31)32/h2-10,12-14,17,26,33-34,36H,11,15-16H2,1H3,(H,37,38)