methyl 3-[4-(methylsulfamoyl)-2-nitro-phenyl]sulfanylpropanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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