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

Systemtic Name: methyl 1-[4-[[3-(trifluoromethyl)phenyl]carbonylamino]phenyl]sulfonylpiperidine-3-carboxylate Openeye Name: methyl 1-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]sulfonylpiperidine-3-carboxylate CAS Name: 1-[4-[[oxo-[3-(trifluoromethyl)phenyl]methyl]amino]phenyl]sulfonyl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]sulfonylpiperidine-3-carboxylate Traditional Name: 1-[4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]sulfonylnipecotic acid methyl ester Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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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(=CC=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N2O5S/c1-31-20(28)15-5-3-11-26(13-15)32(29,30)18-9-7-17(8-10-18)25-19(27)14-4-2-6-16(12-14)21(22,23)24/h2,4,6-10,12,15H,3,5,11,13H2,1H3,(H,25,27)