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

Systemtic Name: 3-methyl-4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]benzoic acid Openeye Name: 3-methyl-4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]benzoic acid CAS Name: 3-methyl-4-[[oxo-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]benzoic acid IUPAC Name: 3-methyl-4-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]benzoic acid Traditional Name: 3-methyl-4-[[1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]amino]benzoic acid Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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