3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoic acid

Systemtic Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoic acid Openeye Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoic acid CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfonyl]propanoic acid IUPAC Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropanoic acid Traditional Name: 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfonylpropionic acid Formula: C15H11F3N2O6S MolecularWeight: 404.31785

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)S(=O)(=O)CCC(=O)O)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C3=CC(=NC(=N3)S(=O)(=O)CCC(=O)O)C(F)(F)F

InChI

InChI=1S/C15H11F3N2O6S/c16-15(17,18)12-6-9(8-1-2-10-11(5-8)26-7-25-10)19-14(20-12)27(23,24)4-3-13(21)22/h1-2,5-6H,3-4,7H2,(H,21,22)