(2S,3S)-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]-3-oxidanyl-butanoate

Systemtic Name: (2S,3S)-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]-3-oxidanyl-butanoate Openeye Name: (2S,3S)-3-hydroxy-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]butanoate CAS Name: (2S,3S)-3-hydroxy-2-[(2-methyl-5-nitrophenyl)sulfonylamino]butanoate IUPAC Name: (2S,3S)-3-hydroxy-2-[(2-methyl-5-nitrophenyl)sulfonylamino]butanoate Traditional Name: (2S,3S)-3-hydroxy-2-[(2-methyl-5-nitro-phenyl)sulfonylamino]butyrate Formula: C11H13N2O7S- MolecularWeight: 317.29512

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC(C(C)O)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N[C@@H]([C@H](C)O)C(=O)[O-]

InChI

InChI=1S/C11H14N2O7S/c1-6-3-4-8(13(17)18)5-9(6)21(19,20)12-10(7(2)14)11(15)16/h3-5,7,10,12,14H,1-2H3,(H,15,16)/p-1/t7-,10-/m0/s1