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

Systemtic Name: (2,4-dimethylphenyl) 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2,4-dimethylphenyl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid (2,4-dimethylphenyl) ester Formula: C20H21F2NO4S MolecularWeight: 409.446846

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F)C

InChI

InChI=1S/C20H21F2NO4S/c1-13-3-6-19(14(2)11-13)27-20(24)15-7-9-23(10-8-15)28(25,26)16-4-5-17(21)18(22)12-16/h3-6,11-12,15H,7-10H2,1-2H3