methyl 3-[2-azanyl-4-(dimethylsulfamoyl)phenyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-azanyl-4-(dimethylsulfamoyl)phenyl]sulfanylpropanoate Openeye Name: methyl 3-[2-amino-4-(dimethylsulfamoyl)phenyl]sulfanylpropanoate CAS Name: 3-[[2-amino-4-(dimethylsulfamoyl)phenyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-amino-4-(dimethylsulfamoyl)phenyl]sulfanylpropanoate Traditional Name: 3-[[2-amino-4-(dimethylsulfamoyl)phenyl]thio]propionic acid methyl ester Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SCCC(=O)OC)N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)SCCC(=O)OC)N

InChI

InChI=1S/C12H18N2O4S2/c1-14(2)20(16,17)9-4-5-11(10(13)8-9)19-7-6-12(15)18-3/h4-5,8H,6-7,13H2,1-3H3