3-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-2,6-bis(fluoranyl)benzoic acid

Systemtic Name: 3-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-2,6-bis(fluoranyl)benzoic acid Openeye Name: 3-[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfonyl-2,6-difluoro-benzoic acid CAS Name: 3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonyl-2,6-difluorobenzoic acid IUPAC Name: 3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonyl-2,6-difluorobenzoic acid Traditional Name: 3-[2-(dimethylamino)-2-keto-1-methyl-ethyl]sulfonyl-2,6-difluoro-benzoic acid Formula: C12H13F2NO5S MolecularWeight: 321.297126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N(C)C)S(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)O)F

Isomeric SMILES

CC(C(=O)N(C)C)S(=O)(=O)C1=C(C(=C(C=C1)F)C(=O)O)F

InChI

InChI=1S/C12H13F2NO5S/c1-6(11(16)15(2)3)21(19,20)8-5-4-7(13)9(10(8)14)12(17)18/h4-6H,1-3H3,(H,17,18)