(3-cyanophenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-cyanophenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (3-cyanophenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (3-cyanobenzyl) ester Formula: C21H19F3N2O4S MolecularWeight: 452.44677

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=CC(=C2)C#N)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H19F3N2O4S/c22-21(23,24)18-6-1-2-7-19(18)31(28,29)26-10-8-17(9-11-26)20(27)30-14-16-5-3-4-15(12-16)13-25/h1-7,12,17H,8-11,14H2