sodium 2,5-bis(3-bromanylpropanoylamino)benzenesulfonate

Systemtic Name: sodium 2,5-bis(3-bromanylpropanoylamino)benzenesulfonate Openeye Name: sodium 2,5-bis(3-bromopropanoylamino)benzenesulfonate CAS Name: sodium 2,5-bis[(3-bromo-1-oxopropyl)amino]benzenesulfonate IUPAC Name: sodium 2,5-bis(3-bromopropanoylamino)benzenesulfonate Traditional Name: sodium 2,5-bis(3-bromopropanoylamino)besylate Formula: C12H13Br2N2NaO5S MolecularWeight: 480.10479

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CCBr)S(=O)(=O)[O-])NC(=O)CCBr.[Na+]

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CCBr)S(=O)(=O)[O-])NC(=O)CCBr.[Na+]

InChI

InChI=1S/C12H14Br2N2O5S.Na/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);/q;+1/p-1