(3-methoxycarbonylfuran-2-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-methoxycarbonylfuran-2-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (3-methoxycarbonyl-2-furyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (3-methoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (3-methoxycarbonylfuran-2-yl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (3-carbomethoxy-2-furyl)methyl ester Formula: C20H20F3NO7S MolecularWeight: 475.43551

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(OC=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

COC(=O)C1=C(OC=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C20H20F3NO7S/c1-29-19(26)14-8-11-30-16(14)12-31-18(25)13-6-9-24(10-7-13)32(27,28)17-5-3-2-4-15(17)20(21,22)23/h2-5,8,11,13H,6-7,9-10,12H2,1H3