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

Systemtic Name: (2S)-3-methyl-2-[(2-methyl-3-nitro-phenyl)sulfonylamino]butanoate Openeye Name: (2S)-3-methyl-2-[(2-methyl-3-nitro-phenyl)sulfonylamino]butanoate CAS Name: (2S)-3-methyl-2-[(2-methyl-3-nitrophenyl)sulfonylamino]butanoate IUPAC Name: (2S)-3-methyl-2-[(2-methyl-3-nitrophenyl)sulfonylamino]butanoate Traditional Name: (2S)-3-methyl-2-[(2-methyl-3-nitro-phenyl)sulfonylamino]butyrate Formula: C12H15N2O6S- MolecularWeight: 315.3223

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1S(=O)(=O)NC(C(C)C)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC=C1S(=O)(=O)N[C@@H](C(C)C)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H16N2O6S/c1-7(2)11(12(15)16)13-21(19,20)10-6-4-5-9(8(10)3)14(17)18/h4-7,11,13H,1-3H3,(H,15,16)/p-1/t11-/m0/s1