4-[methyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]butanoic acid

Systemtic Name: 4-[methyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]butanoic acid Openeye Name: 4-[methyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]butanoic acid CAS Name: 4-[methyl-(4-methyl-3-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 4-[methyl-(4-methyl-3-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 4-[methyl-(4-methyl-3-nitro-phenyl)sulfonyl-amino]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)N(C)CCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S/c1-9-5-6-10(8-11(9)14(17)18)21(19,20)13(2)7-3-4-12(15)16/h5-6,8H,3-4,7H2,1-2H3,(H,15,16)