3-(4-tert-butylphenyl)-1-[[3-(4-sulfamoylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid

Systemtic Name: 3-(4-tert-butylphenyl)-1-[[3-(4-sulfamoylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-[[3-(4-sulfamoylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[[3-(4-sulfamoyl-1-piperazinyl)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[[3-(4-sulfamoylpiperazin-1-yl)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-[3-(4-sulfamoylpiperazino)benzyl]indole-2-carboxylic acid Formula: C30H34N4O4S MolecularWeight: 546.68036

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)N5CCN(CC5)S(=O)(=O)N)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC(=CC=C4)N5CCN(CC5)S(=O)(=O)N)C(=O)O

InChI

InChI=1S/C30H34N4O4S/c1-30(2,3)23-13-11-22(12-14-23)27-25-9-4-5-10-26(25)34(28(27)29(35)36)20-21-7-6-8-24(19-21)32-15-17-33(18-16-32)39(31,37)38/h4-14,19H,15-18,20H2,1-3H3,(H,35,36)(H2,31,37,38)