[(E)-3-phenylprop-2-enyl] 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [(E)-3-phenylprop-2-enyl] 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [(E)-cinnamyl] 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid [(E)-3-phenylprop-2-enyl] ester IUPAC Name: [(E)-3-phenylprop-2-enyl] 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid [(E)-cinnamyl] ester Formula: C21H21F2NO4S MolecularWeight: 421.457546

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC=CC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CN(CCC1C(=O)OC/C=C/C2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H21F2NO4S/c22-19-9-8-18(15-20(19)23)29(26,27)24-12-10-17(11-13-24)21(25)28-14-4-7-16-5-2-1-3-6-16/h1-9,15,17H,10-14H2/b7-4+