(3-cyanophenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic acid (3-cyanobenzyl) ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O4S/c21-14-16-5-4-6-17(13-16)15-26-20(23)18-9-11-22(12-10-18)27(24,25)19-7-2-1-3-8-19/h1-8,13,18H,9-12,15H2