(2S)-2-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-[(2-chloranyl-6-fluoranyl-phenyl)carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[(2-chloro-6-fluoro-benzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(2-chloro-6-fluorophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[(2-chloro-6-fluorobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(2-chloro-6-fluoro-benzoyl)amino]-4-mesyl-butyrate Formula: C12H12ClFNO5S- MolecularWeight: 336.743783

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)C1=C(C=CC=C1Cl)F

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)C1=C(C=CC=C1Cl)F

InChI

InChI=1S/C12H13ClFNO5S/c1-21(19,20)6-5-9(12(17)18)15-11(16)10-7(13)3-2-4-8(10)14/h2-4,9H,5-6H2,1H3,(H,15,16)(H,17,18)/p-1/t9-/m0/s1