3-bromanyl-4-[2-(diethylazaniumyl)ethylsulfamoyl]benzoate

Systemtic Name: 3-bromanyl-4-[2-(diethylazaniumyl)ethylsulfamoyl]benzoate Openeye Name: 3-bromo-4-[2-(diethylammonio)ethylsulfamoyl]benzoate CAS Name: 3-bromo-4-[2-(diethylammonio)ethylsulfamoyl]benzoate IUPAC Name: 3-bromo-4-[2-(diethylazaniumyl)ethylsulfamoyl]benzoate Traditional Name: 3-bromo-4-[2-(diethylammonio)ethylsulfamoyl]benzoate Formula: C13H19BrN2O4S MolecularWeight: 379.26996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O4S/c1-3-16(4-2)8-7-15-21(19,20)12-6-5-10(13(17)18)9-11(12)14/h5-6,9,15H,3-4,7-8H2,1-2H3,(H,17,18)