4-[[4-(methylsulfamoyl)-2-nitro-phenyl]amino]butanoic acid

Systemtic Name: 4-[[4-(methylsulfamoyl)-2-nitro-phenyl]amino]butanoic acid Openeye Name: 4-[4-(methylsulfamoyl)-2-nitro-anilino]butanoic acid CAS Name: 4-[4-(methylsulfamoyl)-2-nitroanilino]butanoic acid IUPAC Name: 4-[4-(methylsulfamoyl)-2-nitroanilino]butanoic acid Traditional Name: 4-[4-(methylsulfamoyl)-2-nitro-anilino]butyric acid Formula: C11H15N3O6S MolecularWeight: 317.3183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15N3O6S/c1-12-21(19,20)8-4-5-9(10(7-8)14(17)18)13-6-2-3-11(15)16/h4-5,7,12-13H,2-3,6H2,1H3,(H,15,16)