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

Systemtic Name: (2S)-2-[[2,4-bis(oxidanyl)phenyl]carbonylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[(2,4-dihydroxybenzoyl)amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[(2,4-dihydroxyphenyl)-oxomethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[(2,4-dihydroxybenzoyl)amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[(2,4-dihydroxybenzoyl)amino]-4-mesyl-butyrate Formula: C12H14NO7S- MolecularWeight: 316.30706

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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)O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO7S/c1-21(19,20)5-4-9(12(17)18)13-11(16)8-3-2-7(14)6-10(8)15/h2-3,6,9,14-15H,4-5H2,1H3,(H,13,16)(H,17,18)/p-1/t9-/m0/s1