2-(4-cyanophenoxy)ethyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: 2-(4-cyanophenoxy)ethyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid 2-(4-cyanophenoxy)ethyl ester Formula: C21H20F2N2O5S MolecularWeight: 450.455706

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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(=C(C=C3)F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H20F2N2O5S/c22-19-6-5-18(13-20(19)23)31(27,28)25-9-7-16(8-10-25)21(26)30-12-11-29-17-3-1-15(14-24)2-4-17/h1-6,13,16H,7-12H2