(3-cyanophenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (3-cyanobenzyl) ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O4S/c20-12-15-3-1-4-16(11-15)14-26-19(23)17-6-9-22(10-7-17)27(24,25)18-5-2-8-21-13-18/h1-5,8,11,13,17H,6-7,9-10,14H2