3-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 3-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 3-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 3-[[3-(dimethylsulfamoyl)phenyl]methylthio]propanoic acid IUPAC Name: 3-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 3-[[3-(dimethylsulfamoyl)benzyl]thio]propionic acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSCCC(=O)O

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSCCC(=O)O

InChI

InChI=1S/C12H17NO4S2/c1-13(2)19(16,17)11-5-3-4-10(8-11)9-18-7-6-12(14)15/h3-5,8H,6-7,9H2,1-2H3,(H,14,15)