2-azanyl-3-[bromanyl(propanoyl)amino]benzenesulfonic acid

Systemtic Name: 2-azanyl-3-[bromanyl(propanoyl)amino]benzenesulfonic acid Openeye Name: 2-amino-3-[bromo(propanoyl)amino]benzenesulfonic acid CAS Name: 2-amino-3-[bromo(1-oxopropyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-3-[bromo(propanoyl)amino]benzenesulfonic acid Traditional Name: 2-amino-3-[bromo(propionyl)amino]besylic acid Formula: C9H11BrN2O4S MolecularWeight: 323.16364

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=C(C(=CC=C1)S(=O)(=O)O)N)Br

Isomeric SMILES

CCC(=O)N(C1=C(C(=CC=C1)S(=O)(=O)O)N)Br

InChI

InChI=1S/C9H11BrN2O4S/c1-2-8(13)12(10)6-4-3-5-7(9(6)11)17(14,15)16/h3-5H,2,11H2,1H3,(H,14,15,16)