methyl 3-(2-nitro-4-sulfamoyl-phenyl)sulfanylpropanoate

Systemtic Name: methyl 3-(2-nitro-4-sulfamoyl-phenyl)sulfanylpropanoate Openeye Name: methyl 3-(2-nitro-4-sulfamoyl-phenyl)sulfanylpropanoate CAS Name: 3-[(2-nitro-4-sulfamoylphenyl)thio]propanoic acid methyl ester IUPAC Name: methyl 3-(2-nitro-4-sulfamoylphenyl)sulfanylpropanoate Traditional Name: 3-[(2-nitro-4-sulfamoyl-phenyl)thio]propionic acid methyl ester Formula: C10H12N2O6S2 MolecularWeight: 320.34208

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)S(=O)(=O)N)[N+](=O)[O-]

InChI

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