3-[3-[2-(dimethylazaniumyl)ethylsulfamoyl]phenyl]propanoate

Systemtic Name: 3-[3-[2-(dimethylazaniumyl)ethylsulfamoyl]phenyl]propanoate Openeye Name: 3-[3-[2-(dimethylammonio)ethylsulfamoyl]phenyl]propanoate CAS Name: 3-[3-[2-(dimethylammonio)ethylsulfamoyl]phenyl]propanoate IUPAC Name: 3-[3-[2-(dimethylazaniumyl)ethylsulfamoyl]phenyl]propanoate Traditional Name: 3-[3-[2-(dimethylammonio)ethylsulfamoyl]phenyl]propionate Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCNS(=O)(=O)C1=CC=CC(=C1)CCC(=O)[O-]

Isomeric SMILES

C[NH+](C)CCNS(=O)(=O)C1=CC=CC(=C1)CCC(=O)[O-]

InChI

InChI=1S/C13H20N2O4S/c1-15(2)9-8-14-20(18,19)12-5-3-4-11(10-12)6-7-13(16)17/h3-5,10,14H,6-9H2,1-2H3,(H,16,17)