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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-(2-thienylsulfonyl)piperidine-4-carboxylate CAS Name: 1-thiophen-2-ylsulfonyl-4-piperidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-thiophen-2-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-thienylsulfonyl)isonipecotic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H19N3O5S2 MolecularWeight: 385.45846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCC#N)S(=O)(=O)C2=CC=CS2

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NCCC#N)S(=O)(=O)C2=CC=CS2

InChI

InChI=1S/C15H19N3O5S2/c16-6-2-7-17-13(19)11-23-15(20)12-4-8-18(9-5-12)25(21,22)14-3-1-10-24-14/h1,3,10,12H,2,4-5,7-9,11H2,(H,17,19)