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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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