2,5-bis(3-bromanylpropanoylamino)benzenesulfonic acid

Systemtic Name: 2,5-bis(3-bromanylpropanoylamino)benzenesulfonic acid Openeye Name: 2,5-bis(3-bromopropanoylamino)benzenesulfonic acid CAS Name: 2,5-bis[(3-bromo-1-oxopropyl)amino]benzenesulfonic acid IUPAC Name: 2,5-bis(3-bromopropanoylamino)benzenesulfonic acid Traditional Name: 2,5-bis(3-bromopropanoylamino)besylic acid Formula: C12H14Br2N2O5S MolecularWeight: 458.12296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCBr)S(=O)(=O)O)NC(=O)CCBr

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCBr)S(=O)(=O)O)NC(=O)CCBr

InChI

InChI=1S/C12H14Br2N2O5S/c13-5-3-11(17)15-8-1-2-9(16-12(18)4-6-14)10(7-8)22(19,20)21/h1-2,7H,3-6H2,(H,15,17)(H,16,18)(H,19,20,21)