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

Systemtic Name: (4-chloranyl-2-methyl-phenyl) 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-chloro-2-methyl-phenyl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid (4-chloro-2-methylphenyl) ester IUPAC Name: (4-chloro-2-methylphenyl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid (4-chloro-2-methyl-phenyl) ester Formula: C19H18ClF2NO4S MolecularWeight: 429.865326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClF2NO4S/c1-12-10-14(20)2-5-18(12)27-19(24)13-6-8-23(9-7-13)28(25,26)15-3-4-16(21)17(22)11-15/h2-5,10-11,13H,6-9H2,1H3