(2,6-dimethylphenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (2,6-dimethylphenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2,6-dimethylphenyl) ester Formula: C21H22F3NO4S MolecularWeight: 441.46389

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CC1=C(C(=CC=C1)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H22F3NO4S/c1-14-6-5-7-15(2)19(14)29-20(26)16-10-12-25(13-11-16)30(27,28)18-9-4-3-8-17(18)21(22,23)24/h3-9,16H,10-13H2,1-2H3