cyanomethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: cyanomethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: cyanomethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid cyanomethyl ester Formula: C15H15F3N2O4S MolecularWeight: 376.35081

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC#N)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC#N)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C15H15F3N2O4S/c16-15(17,18)12-2-1-3-13(10-12)25(22,23)20-7-4-11(5-8-20)14(21)24-9-6-19/h1-3,10-11H,4-5,7-9H2