2-azanyl-4-[2,3-bis(bromanyl)propanoylamino]benzenesulfonic acid

Systemtic Name: 2-azanyl-4-[2,3-bis(bromanyl)propanoylamino]benzenesulfonic acid Openeye Name: 2-amino-4-(2,3-dibromopropanoylamino)benzenesulfonic acid CAS Name: 2-amino-4-[(2,3-dibromo-1-oxopropyl)amino]benzenesulfonic acid IUPAC Name: 2-amino-4-(2,3-dibromopropanoylamino)benzenesulfonic acid Traditional Name: 2-amino-4-(2,3-dibromopropanoylamino)besylic acid Formula: C9H10Br2N2O4S MolecularWeight: 402.0597

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)C(CBr)Br)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C(CBr)Br)N)S(=O)(=O)O

InChI

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