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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCC#N)S(=O)(=O)C2=CN=CC=C2

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCC#N)S(=O)(=O)C2=CN=CC=C2

InChI

InChI=1S/C16H20N4O5S/c17-6-2-8-19-15(21)12-25-16(22)13-4-9-20(10-5-13)26(23,24)14-3-1-7-18-11-14/h1,3,7,11,13H,2,4-5,8-10,12H2,(H,19,21)