[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenyl-ethyl] 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(3,5-dimethylanilino)-2-oxo-1-phenylethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid [2-(3,5-dimethylanilino)-2-keto-1-phenyl-ethyl] ester Formula: C31H28N2O5S MolecularWeight: 540.62942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=CC=C3)S(=O)(=O)N4CCC5=CC=CC=C54)C

InChI

InChI=1S/C31H28N2O5S/c1-21-17-22(2)19-26(18-21)32-30(34)29(24-10-4-3-5-11-24)38-31(35)25-12-8-13-27(20-25)39(36,37)33-16-15-23-9-6-7-14-28(23)33/h3-14,17-20,29H,15-16H2,1-2H3,(H,32,34)