5-bromanyl-3-[2-[ethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfonyl-2-fluoranyl-benzoic acid

Systemtic Name: 5-bromanyl-3-[2-[ethyl(methyl)amino]-2-oxidanylidene-ethyl]sulfonyl-2-fluoranyl-benzoic acid Openeye Name: 5-bromo-3-[2-[ethyl(methyl)amino]-2-oxo-ethyl]sulfonyl-2-fluoro-benzoic acid CAS Name: 5-bromo-3-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfonyl-2-fluorobenzoic acid IUPAC Name: 5-bromo-3-[2-[ethyl(methyl)amino]-2-oxoethyl]sulfonyl-2-fluorobenzoic acid Traditional Name: 5-bromo-3-[2-[ethyl(methyl)amino]-2-keto-ethyl]sulfonyl-2-fluoro-benzoic acid Formula: C12H13BrFNO5S MolecularWeight: 382.202723

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)CS(=O)(=O)C1=C(C(=CC(=C1)Br)C(=O)O)F

Isomeric SMILES

CCN(C)C(=O)CS(=O)(=O)C1=C(C(=CC(=C1)Br)C(=O)O)F

InChI

InChI=1S/C12H13BrFNO5S/c1-3-15(2)10(16)6-21(19,20)9-5-7(13)4-8(11(9)14)12(17)18/h4-5H,3,6H2,1-2H3,(H,17,18)