methyl 4-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 4-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]amino]benzoic acid methyl ester Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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