cyanomethyl 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: cyanomethyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: cyanomethyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid cyanomethyl ester Formula: C14H16N2O4S MolecularWeight: 308.35284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O4S/c15-9-11-20-14(17)13-8-4-5-10-16(13)21(18,19)12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8,10-11H2