4-[methyl-[(4-methylsulfanylphenyl)methyl]sulfamoyl]butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)S(=O)(=O)CCCC(=O)O

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)S(=O)(=O)CCCC(=O)O

InChI

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