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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=CC=CC=C2)C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H20N2O4S/c21-13-16-8-10-17(11-9-16)15-26-20(23)18-5-4-12-22(14-18)27(24,25)19-6-2-1-3-7-19/h1-3,6-11,18H,4-5,12,14-15H2/t18-/m0/s1