4-[1-(4-methylsulfanylphenyl)ethylsulfamoyl]butanoic acid

Systemtic Name: 4-[1-(4-methylsulfanylphenyl)ethylsulfamoyl]butanoic acid Openeye Name: 4-[1-(4-methylsulfanylphenyl)ethylsulfamoyl]butanoic acid CAS Name: 4-[1-[4-(methylthio)phenyl]ethylsulfamoyl]butanoic acid IUPAC Name: 4-[1-(4-methylsulfanylphenyl)ethylsulfamoyl]butanoic acid Traditional Name: 4-[1-[4-(methylthio)phenyl]ethylsulfamoyl]butyric acid Formula: C13H19NO4S2 MolecularWeight: 317.42426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO4S2/c1-10(11-5-7-12(19-2)8-6-11)14-20(17,18)9-3-4-13(15)16/h5-8,10,14H,3-4,9H2,1-2H3,(H,15,16)