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

Systemtic Name: 2-(4-cyanophenoxy)ethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 2-(4-cyanophenoxy)ethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid 2-(4-cyanophenoxy)ethyl ester Formula: C22H21F3N2O5S MolecularWeight: 482.47275

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCOC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCCOC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C22H21F3N2O5S/c23-22(24,25)18-2-1-3-20(14-18)33(29,30)27-10-8-17(9-11-27)21(28)32-13-12-31-19-6-4-16(15-26)5-7-19/h1-7,14,17H,8-13H2