3-bromanyl-4-[3-(dimethylazaniumyl)propylsulfamoyl]benzoate

Systemtic Name: 3-bromanyl-4-[3-(dimethylazaniumyl)propylsulfamoyl]benzoate Openeye Name: 3-bromo-4-[3-(dimethylammonio)propylsulfamoyl]benzoate CAS Name: 3-bromo-4-[3-(dimethylammonio)propylsulfamoyl]benzoate IUPAC Name: 3-bromo-4-[3-(dimethylazaniumyl)propylsulfamoyl]benzoate Traditional Name: 3-bromo-4-[3-(dimethylammonio)propylsulfamoyl]benzoate Formula: C12H17BrN2O4S MolecularWeight: 365.24338

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNS(=O)(=O)C1=C(C=C(C=C1)C(=O)[O-])Br

Isomeric SMILES

C[NH+](C)CCCNS(=O)(=O)C1=C(C=C(C=C1)C(=O)[O-])Br

InChI

InChI=1S/C12H17BrN2O4S/c1-15(2)7-3-6-14-20(18,19)11-5-4-9(12(16)17)8-10(11)13/h4-5,8,14H,3,6-7H2,1-2H3,(H,16,17)