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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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