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

Systemtic Name: (4-cyanophenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-cyanophenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (4-cyanophenyl) ester Formula: C20H17F3N2O4S MolecularWeight: 438.42019

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H17F3N2O4S/c21-20(22,23)17-3-1-2-4-18(17)30(27,28)25-11-9-15(10-12-25)19(26)29-16-7-5-14(13-24)6-8-16/h1-8,15H,9-12H2