2-azanyl-3-[2,3-bis(bromanyl)propanoylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-3-[2,3-bis(bromanyl)propanoylamino]benzenesulfonic acid Openeye Name: 2-amino-3-(2,3-dibromopropanoylamino)benzenesulfonic acid CAS Name: 2-amino-3-[(2,3-dibromo-1-oxopropyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-3-(2,3-dibromopropanoylamino)benzenesulfonic acid Traditional Name: 2-amino-3-(2,3-dibromopropanoylamino)besylic acid Formula: C9H10Br2N2O4S MolecularWeight: 402.0597

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H10Br2N2O4S/c10-4-5(11)9(14)13-6-2-1-3-7(8(6)12)18(15,16)17/h1-3,5H,4,12H2,(H,13,14)(H,15,16,17)