(4-cyanophenyl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (4-cyanophenyl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (4-cyanophenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid (4-cyanobenzyl) ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CCN(C(C1)C(=O)OCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3

InChI

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