3-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-5-fluoranyl-4-methyl-benzoic acid

Systemtic Name: 3-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-5-fluoranyl-4-methyl-benzoic acid Openeye Name: 3-[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfonyl-5-fluoro-4-methyl-benzoic acid CAS Name: 3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonyl-5-fluoro-4-methylbenzoic acid IUPAC Name: 3-[1-(dimethylamino)-1-oxopropan-2-yl]sulfonyl-5-fluoro-4-methylbenzoic acid Traditional Name: 3-[2-(dimethylamino)-2-keto-1-methyl-ethyl]sulfonyl-5-fluoro-4-methyl-benzoic acid Formula: C13H16FNO5S MolecularWeight: 317.333243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1S(=O)(=O)C(C)C(=O)N(C)C)C(=O)O)F

Isomeric SMILES

CC1=C(C=C(C=C1S(=O)(=O)C(C)C(=O)N(C)C)C(=O)O)F

InChI

InChI=1S/C13H16FNO5S/c1-7-10(14)5-9(13(17)18)6-11(7)21(19,20)8(2)12(16)15(3)4/h5-6,8H,1-4H3,(H,17,18)