2-[4-(methylsulfamoyl)-2-nitro-phenyl]sulfanylethanoic acid

Systemtic Name: 2-[4-(methylsulfamoyl)-2-nitro-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-(methylsulfamoyl)-2-nitro-phenyl]sulfanylacetic acid CAS Name: 2-[[4-(methylsulfamoyl)-2-nitrophenyl]thio]acetic acid IUPAC Name: 2-[4-(methylsulfamoyl)-2-nitrophenyl]sulfanylacetic acid Traditional Name: 2-[[4-(methylsulfamoyl)-2-nitro-phenyl]thio]acetic acid Formula: C9H10N2O6S2 MolecularWeight: 306.3155

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10N2O6S2/c1-10-19(16,17)6-2-3-8(18-5-9(12)13)7(4-6)11(14)15/h2-4,10H,5H2,1H3,(H,12,13)