1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(2-methylsulfonylethyl)-2-(phenylmethyl)-3H-indole-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-4-(2-methylsulfonylethyl)-2-(phenylmethyl)-3H-indole-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(2-methylsulfonylethyl)indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-4-(2-methylsulfonylethyl)-2-(phenylmethyl)-3H-indole-2-carboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-4-(2-methylsulfonylethyl)-3H-indole-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-4-(2-mesylethyl)indoline-2-carboxylic acid Formula: C31H35NO6S MolecularWeight: 549.6777

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=CC=CC(=C3CC2(CC4=CC=CC=C4)C(=O)O)CCS(=O)(=O)C)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=CC=CC(=C3CC2(CC4=CC=CC=C4)C(=O)O)CCS(=O)(=O)C)OC

InChI

InChI=1S/C31H35NO6S/c1-30(2,3)25-15-14-23(18-27(25)38-4)28(33)32-26-13-9-12-22(16-17-39(5,36)37)24(26)20-31(32,29(34)35)19-21-10-7-6-8-11-21/h6-15,18H,16-17,19-20H2,1-5H3,(H,34,35)