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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)C(=O)OC

InChI

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