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

Systemtic Name: 2-azanyl-3-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[3-(dimethylsulfamoyl)phenyl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[3-(dimethylsulfamoyl)phenyl]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[3-(dimethylsulfamoyl)benzyl]thio]propionic acid Formula: C12H18N2O4S2 MolecularWeight: 318.41232

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSCC(C(=O)O)N

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSCC(C(=O)O)N

InChI

InChI=1S/C12H18N2O4S2/c1-14(2)20(17,18)10-5-3-4-9(6-10)7-19-8-11(13)12(15)16/h3-6,11H,7-8,13H2,1-2H3,(H,15,16)