[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxy-benzoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 5-indolin-1-ylsulfonyl-2-methoxy-benzoate CAS Name: 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 5-(2,3-dihydroindol-1-ylsulfonyl)-2-methoxybenzoate Traditional Name: 5-indolin-1-ylsulfonyl-2-methoxy-benzoic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC3=CC=CC=C32)C(=O)OCC(=O)NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C25H21N3O6S/c1-33-23-11-10-20(35(31,32)28-13-12-18-4-2-3-5-22(18)28)14-21(23)25(30)34-16-24(29)27-19-8-6-17(15-26)7-9-19/h2-11,14H,12-13,16H2,1H3,(H,27,29)