(2S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoic acid

Systemtic Name: (2S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoic acid Openeye Name: (2S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonyl-amino]butanoic acid CAS Name: (2S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: (2S)-3-methyl-2-[methyl-(4-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: (2S)-3-methyl-2-[methyl(nosyl)amino]butyric acid Formula: C12H16N2O6S MolecularWeight: 316.33024

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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