[3-(trifluoromethyl)phenyl]methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [3-(trifluoromethyl)benzyl] ester Formula: C19H19F3N2O4S MolecularWeight: 428.42537

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N2O4S/c20-19(21,22)16-4-1-3-14(11-16)13-28-18(25)15-6-9-24(10-7-15)29(26,27)17-5-2-8-23-12-17/h1-5,8,11-12,15H,6-7,9-10,13H2