1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-5-methylsulfonyl-2-(phenylmethyl)-3H-indole-2-carboxylic acid

Systemtic Name: 1-(4-tert-butyl-3-methoxy-phenyl)carbonyl-5-methylsulfonyl-2-(phenylmethyl)-3H-indole-2-carboxylic acid Openeye Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-5-methylsulfonyl-indoline-2-carboxylic acid CAS Name: 1-[(4-tert-butyl-3-methoxyphenyl)-oxomethyl]-5-methylsulfonyl-2-(phenylmethyl)-3H-indole-2-carboxylic acid IUPAC Name: 2-benzyl-1-(4-tert-butyl-3-methoxybenzoyl)-5-methylsulfonyl-3H-indole-2-carboxylic acid Traditional Name: 2-benzyl-1-(4-tert-butyl-3-methoxy-benzoyl)-5-mesyl-indoline-2-carboxylic acid Formula: C29H31NO6S MolecularWeight: 521.62454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=C(CC2(CC4=CC=CC=C4)C(=O)O)C=C(C=C3)S(=O)(=O)C)OC

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)N2C3=C(CC2(CC4=CC=CC=C4)C(=O)O)C=C(C=C3)S(=O)(=O)C)OC

InChI

InChI=1S/C29H31NO6S/c1-28(2,3)23-13-11-20(16-25(23)36-4)26(31)30-24-14-12-22(37(5,34)35)15-21(24)18-29(30,27(32)33)17-19-9-7-6-8-10-19/h6-16H,17-18H2,1-5H3,(H,32,33)