3-[4-(methylsulfamoyl)-2-nitro-phenyl]sulfanylpropanoic acid

Systemtic Name: 3-[4-(methylsulfamoyl)-2-nitro-phenyl]sulfanylpropanoic acid Openeye Name: 3-[4-(methylsulfamoyl)-2-nitro-phenyl]sulfanylpropanoic acid CAS Name: 3-[[4-(methylsulfamoyl)-2-nitrophenyl]thio]propanoic acid IUPAC Name: 3-[4-(methylsulfamoyl)-2-nitrophenyl]sulfanylpropanoic acid Traditional Name: 3-[[4-(methylsulfamoyl)-2-nitro-phenyl]thio]propionic acid Formula: C10H12N2O6S2 MolecularWeight: 320.34208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H12N2O6S2/c1-11-20(17,18)7-2-3-9(8(6-7)12(15)16)19-5-4-10(13)14/h2-3,6,11H,4-5H2,1H3,(H,13,14)