(5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-[3,4-bis(fluoranyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (5-methoxycarbonyl-4-methyl-2-furyl)methyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-difluorophenyl)sulfonyl-4-piperidinecarboxylic acid (5-methoxycarbonyl-4-methyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 1-(3,4-difluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-difluorophenyl)sulfonylisonipecotic acid (5-carbomethoxy-4-methyl-2-furyl)methyl ester Formula: C20H21F2NO7S MolecularWeight: 457.445046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F2NO7S/c1-12-9-14(30-18(12)20(25)28-2)11-29-19(24)13-5-7-23(8-6-13)31(26,27)15-3-4-16(21)17(22)10-15/h3-4,9-10,13H,5-8,11H2,1-2H3