azanium 4-(2-bromanylethanoylamino)benzenesulfonate

Systemtic Name: azanium 4-(2-bromanylethanoylamino)benzenesulfonate Openeye Name: ammonium 4-[(2-bromoacetyl)amino]benzenesulfonate CAS Name: ammonium 4-[(2-bromo-1-oxoethyl)amino]benzenesulfonate IUPAC Name: azanium 4-[(2-bromoacetyl)amino]benzenesulfonate Traditional Name: ammonium 4-[(2-bromoacetyl)amino]besylate Formula: C8H11BrN2O4S MolecularWeight: 311.15294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)CBr)S(=O)(=O)[O-].[NH4+]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)CBr)S(=O)(=O)[O-].[NH4+]

InChI

InChI=1S/C8H8BrNO4S.H3N/c9-5-8(11)10-6-1-3-7(4-2-6)15(12,13)14;/h1-4H,5H2,(H,10,11)(H,12,13,14);1H3