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

Systemtic Name: cyanomethyl 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: cyanomethyl 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid cyanomethyl ester IUPAC Name: cyanomethyl 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid cyanomethyl ester Formula: C15H14ClF3N2O4S MolecularWeight: 410.79587

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14ClF3N2O4S/c16-13-2-1-11(9-12(13)15(17,18)19)26(23,24)21-6-3-10(4-7-21)14(22)25-8-5-20/h1-2,9-10H,3-4,6-8H2