2-azanyl-3-(2-bromanylethanoylamino)benzenesulfonic acid

Systemtic Name: 2-azanyl-3-(2-bromanylethanoylamino)benzenesulfonic acid Openeye Name: 2-amino-3-[(2-bromoacetyl)amino]benzenesulfonic acid CAS Name: 2-amino-3-[(2-bromo-1-oxoethyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-3-[(2-bromoacetyl)amino]benzenesulfonic acid Traditional Name: 2-amino-3-[(2-bromoacetyl)amino]besylic acid Formula: C8H9BrN2O4S MolecularWeight: 309.13706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)S(=O)(=O)O)N)NC(=O)CBr

Isomeric SMILES

C1=CC(=C(C(=C1)S(=O)(=O)O)N)NC(=O)CBr

InChI

InChI=1S/C8H9BrN2O4S/c9-4-7(12)11-5-2-1-3-6(8(5)10)16(13,14)15/h1-3H,4,10H2,(H,11,12)(H,13,14,15)