3-[1-(4-methylsulfanylphenyl)ethylsulfamoyl]propanoic acid

Systemtic Name: 3-[1-(4-methylsulfanylphenyl)ethylsulfamoyl]propanoic acid Openeye Name: 3-[1-(4-methylsulfanylphenyl)ethylsulfamoyl]propanoic acid CAS Name: 3-[1-[4-(methylthio)phenyl]ethylsulfamoyl]propanoic acid IUPAC Name: 3-[1-(4-methylsulfanylphenyl)ethylsulfamoyl]propanoic acid Traditional Name: 3-[1-[4-(methylthio)phenyl]ethylsulfamoyl]propionic acid Formula: C12H17NO4S2 MolecularWeight: 303.39768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)NS(=O)(=O)CCC(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)NS(=O)(=O)CCC(=O)O

InChI

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