(2-cyanophenyl)methyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (2-cyanophenyl)methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (2-cyanobenzyl) ester Formula: C16H20N2O4S MolecularWeight: 336.406

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC=CC=C2C#N

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OCC2=CC=CC=C2C#N

InChI

InChI=1S/C16H20N2O4S/c1-2-23(20,21)18-9-7-13(8-10-18)16(19)22-12-15-6-4-3-5-14(15)11-17/h3-6,13H,2,7-10,12H2,1H3