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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)NC(=O)CC(Br)Br)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)NC(=O)CC(Br)Br)S(=O)(=O)O

InChI

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