2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanoic acid

Systemtic Name: 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 2-[[3-(dimethylsulfamoyl)phenyl]methylthio]propanoic acid IUPAC Name: 2-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-[[3-(dimethylsulfamoyl)benzyl]thio]propionic acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SCC1=CC(=CC=C1)S(=O)(=O)N(C)C

Isomeric SMILES

CC(C(=O)O)SCC1=CC(=CC=C1)S(=O)(=O)N(C)C

InChI

InChI=1S/C12H17NO4S2/c1-9(12(14)15)18-8-10-5-4-6-11(7-10)19(16,17)13(2)3/h4-7,9H,8H2,1-3H3,(H,14,15)