2-[(3-bromanyl-5-fluoranyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoic acid

Systemtic Name: 2-[(3-bromanyl-5-fluoranyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoic acid Openeye Name: 2-[(3-bromo-5-fluoro-benzoyl)amino]-4-methylsulfonyl-butanoic acid CAS Name: 2-[[(3-bromo-5-fluorophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoic acid IUPAC Name: 2-[(3-bromo-5-fluorobenzoyl)amino]-4-methylsulfonylbutanoic acid Traditional Name: 2-[(3-bromo-5-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=CC(=CC(=C1)Br)F

Isomeric SMILES

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

InChI

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