methyl 1-[4-[[4-(trifluoromethyloxy)phenyl]carbonylamino]phenyl]sulfonylpiperidine-3-carboxylate

Systemtic Name: methyl 1-[4-[[4-(trifluoromethyloxy)phenyl]carbonylamino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[oxo-[4-(trifluoromethoxy)phenyl]methyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[[4-(trifluoromethoxy)benzoyl]amino]phenyl]sulfonylnipecotic acid methyl ester Formula: C21H21F3N2O6S MolecularWeight: 486.46145

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

COC(=O)C1CCCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C21H21F3N2O6S/c1-31-20(28)15-3-2-12-26(13-15)33(29,30)18-10-6-16(7-11-18)25-19(27)14-4-8-17(9-5-14)32-21(22,23)24/h4-11,15H,2-3,12-13H2,1H3,(H,25,27)