[2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[(3-chlorophenyl)amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(3-chloroanilino)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(3-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloroanilino)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(3-chloroanilino)-2-keto-ethyl] ester Formula: C19H20ClN3O5S MolecularWeight: 437.8972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC(=CC=C2)Cl)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H20ClN3O5S/c20-15-3-1-4-16(11-15)22-18(24)13-28-19(25)14-6-9-23(10-7-14)29(26,27)17-5-2-8-21-12-17/h1-5,8,11-12,14H,6-7,9-10,13H2,(H,22,24)