3-[[4-(dimethylsulfamoyl)-2-nitro-phenyl]amino]propanoic acid

Systemtic Name: 3-[[4-(dimethylsulfamoyl)-2-nitro-phenyl]amino]propanoic acid Openeye Name: 3-[4-(dimethylsulfamoyl)-2-nitro-anilino]propanoic acid CAS Name: 3-[4-(dimethylsulfamoyl)-2-nitroanilino]propanoic acid IUPAC Name: 3-[4-(dimethylsulfamoyl)-2-nitroanilino]propanoic acid Traditional Name: 3-[4-(dimethylsulfamoyl)-2-nitro-anilino]propionic acid Formula: C11H15N3O6S MolecularWeight: 317.3183

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C11H15N3O6S/c1-13(2)21(19,20)8-3-4-9(10(7-8)14(17)18)12-6-5-11(15)16/h3-4,7,12H,5-6H2,1-2H3,(H,15,16)