2-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(4-bromo-2-fluoro-benzoyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(4-bromo-2-fluorophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(4-bromo-2-fluorobenzoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(4-bromo-2-fluoro-benzoyl)amino]-4-mesyl-butyric acid Formula: C12H13BrFNO5S MolecularWeight: 382.202723

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)Br)F

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)O)NC(=O)C1=C(C=C(C=C1)Br)F

InChI

InChI=1S/C12H13BrFNO5S/c1-21(19,20)5-4-10(12(17)18)15-11(16)8-3-2-7(13)6-9(8)14/h2-3,6,10H,4-5H2,1H3,(H,15,16)(H,17,18)