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

Systemtic Name: 2-[(2-methyl-3-nitro-phenyl)sulfonylamino]butanoic acid Openeye Name: 2-[(2-methyl-3-nitro-phenyl)sulfonylamino]butanoic acid CAS Name: 2-[(2-methyl-3-nitrophenyl)sulfonylamino]butanoic acid IUPAC Name: 2-[(2-methyl-3-nitrophenyl)sulfonylamino]butanoic acid Traditional Name: 2-[(2-methyl-3-nitro-phenyl)sulfonylamino]butyric acid Formula: C11H14N2O6S MolecularWeight: 302.30366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NS(=O)(=O)C1=CC=CC(=C1C)[N+](=O)[O-]

Isomeric SMILES

CCC(C(=O)O)NS(=O)(=O)C1=CC=CC(=C1C)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O6S/c1-3-8(11(14)15)12-20(18,19)10-6-4-5-9(7(10)2)13(16)17/h4-6,8,12H,3H2,1-2H3,(H,14,15)