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

Systemtic Name: (5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (5-methoxycarbonyl-4-methyl-2-furyl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (5-methoxycarbonyl-4-methyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (5-carbomethoxy-4-methyl-2-furyl)methyl ester Formula: C21H22F3NO7S MolecularWeight: 489.46209

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3NO7S/c1-13-10-16(32-18(13)20(27)30-2)12-31-19(26)14-6-8-25(9-7-14)33(28,29)17-5-3-4-15(11-17)21(22,23)24/h3-5,10-11,14H,6-9,12H2,1-2H3