3-methyl-2-[(4-methyl-3-nitro-phenyl)sulfonylamino]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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