5-[3-(dimethylazaniumyl)propylsulfamoyl]-2-methyl-benzoate

Systemtic Name: 5-[3-(dimethylazaniumyl)propylsulfamoyl]-2-methyl-benzoate Openeye Name: 5-[3-(dimethylammonio)propylsulfamoyl]-2-methyl-benzoate CAS Name: 5-[3-(dimethylammonio)propylsulfamoyl]-2-methylbenzoate IUPAC Name: 5-[3-(dimethylazaniumyl)propylsulfamoyl]-2-methylbenzoate Traditional Name: 5-[3-(dimethylammonio)propylsulfamoyl]-2-methyl-benzoate Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NCCC[NH+](C)C)C(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NCCC[NH+](C)C)C(=O)[O-]

InChI

InChI=1S/C13H20N2O4S/c1-10-5-6-11(9-12(10)13(16)17)20(18,19)14-7-4-8-15(2)3/h5-6,9,14H,4,7-8H2,1-3H3,(H,16,17)