(4-methoxycarbonylphenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (4-carbomethoxyphenyl) ester Formula: C21H20F3NO6S MolecularWeight: 471.44681

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3NO6S/c1-30-19(26)14-6-8-16(9-7-14)31-20(27)15-10-12-25(13-11-15)32(28,29)18-5-3-2-4-17(18)21(22,23)24/h2-9,15H,10-13H2,1H3