4-[2-(12-sulfinododecanoylamino)-6-(trifluoromethyl)pyridin-3-yl]oxybutanoic acid

Systemtic Name: 4-[2-(12-sulfinododecanoylamino)-6-(trifluoromethyl)pyridin-3-yl]oxybutanoic acid Openeye Name: 4-[[2-(12-sulfinododecanoylamino)-6-(trifluoromethyl)-3-pyridyl]oxy]butanoic acid CAS Name: 4-[[2-[(1-oxo-12-sulfinododecyl)amino]-6-(trifluoromethyl)-3-pyridinyl]oxy]butanoic acid IUPAC Name: 4-[2-(12-sulfinododecanoylamino)-6-(trifluoromethyl)pyridin-3-yl]oxybutanoic acid Traditional Name: 4-[[2-(12-sulfinododecanoylamino)-6-(trifluoromethyl)-3-pyridyl]oxy]butyric acid Formula: C22H33F3N2O6S MolecularWeight: 510.56743

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=NC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCCCS(=O)O)C(F)(F)F

Isomeric SMILES

C1=CC(=NC(=C1OCCCC(=O)O)NC(=O)CCCCCCCCCCCS(=O)O)C(F)(F)F

InChI

InChI=1S/C22H33F3N2O6S/c23-22(24,25)18-14-13-17(33-15-10-12-20(29)30)21(26-18)27-19(28)11-8-6-4-2-1-3-5-7-9-16-34(31)32/h13-14H,1-12,15-16H2,(H,29,30)(H,31,32)(H,26,27,28)