[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H23N3O5S MolecularWeight: 441.50012

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC(=O)N(CC#N)C2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5S/c23-14-16-24(18-9-3-1-4-10-18)21(26)17-30-22(27)20-13-7-8-15-25(20)31(28,29)19-11-5-2-6-12-19/h1-6,9-12,20H,7-8,13,15-17H2