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

Systemtic Name: 3-(4-tert-butylphenyl)-1-[[3-(3-methylsulfonylphenyl)phenyl]methyl]indole-2-carboxylic acid Openeye Name: 3-(4-tert-butylphenyl)-1-[[3-(3-methylsulfonylphenyl)phenyl]methyl]indole-2-carboxylic acid CAS Name: 3-(4-tert-butylphenyl)-1-[[3-(3-methylsulfonylphenyl)phenyl]methyl]-2-indolecarboxylic acid IUPAC Name: 3-(4-tert-butylphenyl)-1-[[3-(3-methylsulfonylphenyl)phenyl]methyl]indole-2-carboxylic acid Traditional Name: 3-(4-tert-butylphenyl)-1-[3-(3-mesylphenyl)benzyl]indole-2-carboxylic acid Formula: C33H31NO4S MolecularWeight: 537.66854

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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)C5=CC(=CC=C5)S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=C(N(C3=CC=CC=C32)CC4=CC=CC(=C4)C5=CC(=CC=C5)S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C33H31NO4S/c1-33(2,3)26-17-15-23(16-18-26)30-28-13-5-6-14-29(28)34(31(30)32(35)36)21-22-9-7-10-24(19-22)25-11-8-12-27(20-25)39(4,37)38/h5-20H,21H2,1-4H3,(H,35,36)