(4-cyanophenyl) 1-[3-(trifluoromethyloxy)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-cyanophenyl) 1-[3-(trifluoromethyloxy)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-cyanophenyl) 1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethoxy)phenyl]sulfonyl-4-piperidinecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 1-[3-(trifluoromethoxy)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethoxy)phenyl]sulfonylisonipecotic acid (4-cyanophenyl) ester Formula: C20H17F3N2O5S MolecularWeight: 454.41959

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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(=C3)OC(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3N2O5S/c21-20(22,23)30-17-2-1-3-18(12-17)31(27,28)25-10-8-15(9-11-25)19(26)29-16-6-4-14(13-24)5-7-16/h1-7,12,15H,8-11H2