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

Systemtic Name: methyl 1-[2,3,4-tris(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(2,3,4-trifluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2,3,4-trifluorophenyl)sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(2,3,4-trifluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2,3,4-trifluorophenyl)sulfonylisonipecotic acid methyl ester Formula: C13H14F3NO4S MolecularWeight: 337.31477

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)F)F)F

Isomeric SMILES

COC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)F)F)F

InChI

InChI=1S/C13H14F3NO4S/c1-21-13(18)8-4-6-17(7-5-8)22(19,20)10-3-2-9(14)11(15)12(10)16/h2-3,8H,4-7H2,1H3