3-oxidanyl-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]butanoic acid

Systemtic Name: 3-oxidanyl-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]carbonylamino]butanoic acid Openeye Name: 3-hydroxy-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]butanoic acid CAS Name: 3-hydroxy-2-[[oxo-[1-[3-(trifluoromethyl)phenyl]sulfonyl-4-piperidinyl]methyl]amino]butanoic acid IUPAC Name: 3-hydroxy-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carbonyl]amino]butanoic acid Traditional Name: 3-hydroxy-2-[[1-[3-(trifluoromethyl)phenyl]sulfonylisonipecotoyl]amino]butyric acid Formula: C17H21F3N2O6S MolecularWeight: 438.41865

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)O

Isomeric SMILES

CC(C(C(=O)O)NC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)O

InChI

InChI=1S/C17H21F3N2O6S/c1-10(23)14(16(25)26)21-15(24)11-5-7-22(8-6-11)29(27,28)13-4-2-3-12(9-13)17(18,19)20/h2-4,9-11,14,23H,5-8H2,1H3,(H,21,24)(H,25,26)