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

Systemtic Name: [2-[(4-aminocarbonylphenyl)amino]-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(4-carbamoylanilino)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(4-carbamoylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-carbamoylanilino)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(4-carbamoylanilino)-2-keto-ethyl] ester Formula: C20H22N4O6S MolecularWeight: 446.47688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O6S/c21-19(26)14-3-5-16(6-4-14)23-18(25)13-30-20(27)15-7-10-24(11-8-15)31(28,29)17-2-1-9-22-12-17/h1-6,9,12,15H,7-8,10-11,13H2,(H2,21,26)(H,23,25)