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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N2O6S/c1-9-10(14(17)18)5-3-6-11(9)21(19,20)13(2)8-4-7-12(15)16/h3,5-6H,4,7-8H2,1-2H3,(H,15,16)