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

Systemtic Name: 3-cyanopropyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 3-cyanopropyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid 3-cyanopropyl ester IUPAC Name: 3-cyanopropyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid 3-cyanopropyl ester Formula: C17H19F3N2O4S MolecularWeight: 404.40397

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCCC#N)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCCCC#N)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C17H19F3N2O4S/c18-17(19,20)14-5-1-2-6-15(14)27(24,25)22-10-7-13(8-11-22)16(23)26-12-4-3-9-21/h1-2,5-6,13H,3-4,7-8,10-12H2