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

Systemtic Name: 3-[4-(dimethylsulfamoyl)-2-nitro-phenyl]sulfanylpropanoic acid Openeye Name: 3-[4-(dimethylsulfamoyl)-2-nitro-phenyl]sulfanylpropanoic acid CAS Name: 3-[[4-(dimethylsulfamoyl)-2-nitrophenyl]thio]propanoic acid IUPAC Name: 3-[4-(dimethylsulfamoyl)-2-nitrophenyl]sulfanylpropanoic acid Traditional Name: 3-[[4-(dimethylsulfamoyl)-2-nitro-phenyl]thio]propionic acid Formula: C11H14N2O6S2 MolecularWeight: 334.36866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H14N2O6S2/c1-12(2)21(18,19)8-3-4-10(9(7-8)13(16)17)20-6-5-11(14)15/h3-4,7H,5-6H2,1-2H3,(H,14,15)