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

Systemtic Name: 5-bromanyl-2-fluoranyl-3-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid Openeye Name: 5-bromo-2-fluoro-3-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 5-bromo-2-fluoro-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 5-bromo-2-fluoro-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 5-bromo-2-fluoro-3-[2-keto-1-methyl-2-(methylamino)ethyl]sulfonyl-benzoic acid Formula: C11H11BrFNO5S MolecularWeight: 368.176143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)S(=O)(=O)C1=C(C(=CC(=C1)Br)C(=O)O)F

Isomeric SMILES

CC(C(=O)NC)S(=O)(=O)C1=C(C(=CC(=C1)Br)C(=O)O)F

InChI

InChI=1S/C11H11BrFNO5S/c1-5(10(15)14-2)20(18,19)8-4-6(12)3-7(9(8)13)11(16)17/h3-5H,1-2H3,(H,14,15)(H,16,17)