5-[3-(dimethylazaniumyl)propylsulfamoyl]-4-methyl-2-oxidanyl-benzoate

Systemtic Name: 5-[3-(dimethylazaniumyl)propylsulfamoyl]-4-methyl-2-oxidanyl-benzoate Openeye Name: 5-[3-(dimethylammonio)propylsulfamoyl]-2-hydroxy-4-methyl-benzoate CAS Name: 5-[3-(dimethylammonio)propylsulfamoyl]-2-hydroxy-4-methylbenzoate IUPAC Name: 5-[3-(dimethylazaniumyl)propylsulfamoyl]-2-hydroxy-4-methylbenzoate Traditional Name: 5-[3-(dimethylammonio)propylsulfamoyl]-2-hydroxy-4-methyl-benzoate Formula: C13H20N2O5S MolecularWeight: 316.3733

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O5S/c1-9-7-11(16)10(13(17)18)8-12(9)21(19,20)14-5-4-6-15(2)3/h7-8,14,16H,4-6H2,1-3H3,(H,17,18)