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

Systemtic Name: (4-methoxycarbonylphenyl) 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid (4-carbomethoxyphenyl) ester Formula: C20H19F2NO6S MolecularWeight: 439.429766

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19F2NO6S/c1-28-19(24)13-2-4-15(5-3-13)29-20(25)14-8-10-23(11-9-14)30(26,27)16-6-7-17(21)18(22)12-16/h2-7,12,14H,8-11H2,1H3