5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1-(phenylmethyl)indole-2-carboxylic acid

Systemtic Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1-(phenylmethyl)indole-2-carboxylic acid Openeye Name: 1-benzyl-5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-indole-2-carboxylic acid CAS Name: 5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-1-(phenylmethyl)-2-indolecarboxylic acid IUPAC Name: 1-benzyl-5-[(4-tert-butylphenyl)sulfonylamino]-3-phenylindole-2-carboxylic acid Traditional Name: 1-benzyl-5-[(4-tert-butylphenyl)sulfonylamino]-3-phenyl-indole-2-carboxylic acid Formula: C32H30N2O4S MolecularWeight: 538.6566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=CC3=C(C=C2)N(C(=C3C4=CC=CC=C4)C(=O)O)CC5=CC=CC=C5

InChI

InChI=1S/C32H30N2O4S/c1-32(2,3)24-14-17-26(18-15-24)39(37,38)33-25-16-19-28-27(20-25)29(23-12-8-5-9-13-23)30(31(35)36)34(28)21-22-10-6-4-7-11-22/h4-20,33H,21H2,1-3H3,(H,35,36)