(2S)-2-[(2-bromanyl-5-fluoranyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-[(2-bromanyl-5-fluoranyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[(2-bromo-5-fluoro-benzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(2-bromo-5-fluorophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[(2-bromo-5-fluorobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(2-bromo-5-fluoro-benzoyl)amino]-4-mesyl-butyrate Formula: C12H12BrFNO5S- MolecularWeight: 381.194783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=C(C=CC(=C1)F)Br

InChI

InChI=1S/C12H13BrFNO5S/c1-21(19,20)5-4-10(12(17)18)15-11(16)8-6-7(14)2-3-9(8)13/h2-3,6,10H,4-5H2,1H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1