[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 3-indolin-1-ylsulfonylbenzoate CAS Name: 3-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 3-(2,3-dihydroindol-1-ylsulfonyl)benzoate Traditional Name: 3-indolin-1-ylsulfonylbenzoic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-ethyl] ester Formula: C26H26N2O5S MolecularWeight: 478.56004

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCC4=CC=CC=C43)C

InChI

InChI=1S/C26H26N2O5S/c1-3-19-10-6-8-18(2)25(19)27-24(29)17-33-26(30)21-11-7-12-22(16-21)34(31,32)28-15-14-20-9-4-5-13-23(20)28/h4-13,16H,3,14-15,17H2,1-2H3,(H,27,29)