methyl 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-[3-(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(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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