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(2,3,6-trimethylphenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

(2,3,6-trimethylphenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name:(2,3,6-trimethylphenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
Openeye Name:(2,3,6-trimethylphenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
CAS Name:1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid (2,3,6-trimethylphenyl) ester
IUPAC Name:(2,3,6-trimethylphenyl) 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate
Traditional Name:1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (2,3,6-trimethylphenyl) ester
Formula: C22H24F3NO4S
MolecularWeight: 455.49047
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C22H24F3NO4S/c1-14-8-9-15(2)20(16(14)3)30-21(27)17-10-12-26(13-11-17)31(28,29)19-7-5-4-6-18(19)22(23,24)25/h4-9,17H,10-13H2,1-3H3


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