[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate

Systemtic Name: [2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Openeye Name: [2-(3-cyanoanilino)-2-oxo-ethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate CAS Name: 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [2-(3-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-cyanoanilino)-2-oxoethyl] 1-methylsulfonyl-3,4-dihydro-2H-quinoline-6-carboxylate Traditional Name: 1-mesyl-3,4-dihydro-2H-quinoline-6-carboxylic acid [2-(3-cyanoanilino)-2-keto-ethyl] ester Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

CS(=O)(=O)N1CCCC2=C1C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC(=C3)C#N

InChI

InChI=1S/C20H19N3O5S/c1-29(26,27)23-9-3-5-15-11-16(7-8-18(15)23)20(25)28-13-19(24)22-17-6-2-4-14(10-17)12-21/h2,4,6-8,10-11H,3,5,9,13H2,1H3,(H,22,24)