[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 1-[(E)-styryl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[(E)-2-phenylethenyl]sulfonyl-4-piperidinecarboxylic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 1-[(E)-2-phenylethenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[(E)-styryl]sulfonylisonipecotic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C19H23N3O5S MolecularWeight: 405.46802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NCCC#N)S(=O)(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O5S/c20-10-4-11-21-18(23)15-27-19(24)17-7-12-22(13-8-17)28(25,26)14-9-16-5-2-1-3-6-16/h1-3,5-6,9,14,17H,4,7-8,11-13,15H2,(H,21,23)/b14-9+