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

Systemtic Name: 3-fluoranyl-4-methyl-5-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid Openeye Name: 3-fluoro-4-methyl-5-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 3-fluoro-4-methyl-5-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 3-fluoro-4-methyl-5-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 3-fluoro-5-[2-keto-1-methyl-2-(methylamino)ethyl]sulfonyl-4-methyl-benzoic acid Formula: C12H14FNO5S MolecularWeight: 303.306663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14FNO5S/c1-6-9(13)4-8(12(16)17)5-10(6)20(18,19)7(2)11(15)14-3/h4-5,7H,1-3H3,(H,14,15)(H,16,17)