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

Systemtic Name: (2S)-2-[(4-bromanyl-2-fluoranyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[(4-bromo-2-fluoro-benzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(4-bromo-2-fluorophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[(4-bromo-2-fluorobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(4-bromo-2-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=C(C=C1)Br)F

Isomeric SMILES

CS(=O)(=O)CC[C@@H](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)/p-1/t10-/m0/s1