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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=C(C=C(C=C1)S(=O)(=O)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)O)SC1=C(C=C(C=C1)S(=O)(=O)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C11H14N2O6S2/c1-7(11(14)15)20-10-5-4-8(6-9(10)13(16)17)21(18,19)12(2)3/h4-7H,1-3H3,(H,14,15)