[2-(3-bromanylpropanoylamino)-4-(trioxidanylsulfanyl)phenyl] 2-bromanylethanesulfonate

Systemtic Name: [2-(3-bromanylpropanoylamino)-4-(trioxidanylsulfanyl)phenyl] 2-bromanylethanesulfonate Openeye Name: [2-(3-bromopropanoylamino)-4-(trioxidanylsulfanyl)phenyl] 2-bromoethanesulfonate CAS Name: 2-bromoethanesulfonic acid [2-[(3-bromo-1-oxopropyl)amino]-4-(trioxidanylthio)phenyl] ester IUPAC Name: [2-(3-bromopropanoylamino)-4-(trioxidanylsulfanyl)phenyl] 2-bromoethanesulfonate Traditional Name: 2-bromoethanesulfonic acid [2-(3-bromopropanoylamino)-4-(trioxidanylthio)phenyl] ester Formula: C11H13Br2NO7S2 MolecularWeight: 495.16142

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1SOOO)NC(=O)CCBr)OS(=O)(=O)CCBr

Isomeric SMILES

C1=CC(=C(C=C1SOOO)NC(=O)CCBr)OS(=O)(=O)CCBr

InChI

InChI=1S/C11H13Br2NO7S2/c12-4-3-11(15)14-9-7-8(22-21-20-16)1-2-10(9)19-23(17,18)6-5-13/h1-2,7,16H,3-6H2,(H,14,15)