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

Systemtic Name: methyl 3-[2-nitro-4-(phenylsulfamoyl)phenyl]sulfanylpropanoate Openeye Name: methyl 3-[2-nitro-4-(phenylsulfamoyl)phenyl]sulfanylpropanoate CAS Name: 3-[[2-nitro-4-(phenylsulfamoyl)phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-nitro-4-(phenylsulfamoyl)phenyl]sulfanylpropanoate Traditional Name: 3-[[2-nitro-4-(phenylsulfamoyl)phenyl]thio]propionic acid methyl ester Formula: C16H16N2O6S2 MolecularWeight: 396.43804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6S2/c1-24-16(19)9-10-25-15-8-7-13(11-14(15)18(20)21)26(22,23)17-12-5-3-2-4-6-12/h2-8,11,17H,9-10H2,1H3