[2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate

Systemtic Name: [2-[(2-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Openeye Name: [2-(2-cyanoanilino)-2-oxo-ethyl] 1-methylsulfonylindoline-5-carboxylate CAS Name: 1-methylsulfonyl-2,3-dihydroindole-5-carboxylic acid [2-(2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoanilino)-2-oxoethyl] 1-methylsulfonyl-2,3-dihydroindole-5-carboxylate Traditional Name: 1-mesylindoline-5-carboxylic acid [2-(2-cyanoanilino)-2-keto-ethyl] ester Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C#N

Isomeric SMILES

CS(=O)(=O)N1CCC2=C1C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C#N

InChI

InChI=1S/C19H17N3O5S/c1-28(25,26)22-9-8-13-10-14(6-7-17(13)22)19(24)27-12-18(23)21-16-5-3-2-4-15(16)11-20/h2-7,10H,8-9,12H2,1H3,(H,21,23)