(2S)-2-[[3,4-bis(fluoranyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-[[3,4-bis(fluoranyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[(3,4-difluorobenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(3,4-difluorophenyl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[(3,4-difluorobenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(3,4-difluorobenzoyl)amino]-4-mesyl-butyrate Formula: C12H12F2NO5S- MolecularWeight: 320.289186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO5S/c1-21(19,20)5-4-10(12(17)18)15-11(16)7-2-3-8(13)9(14)6-7/h2-3,6,10H,4-5H2,1H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1