sodium N-(2-bromoethyl)-2-methyl-4-oxidanidylperoxysulfanyl-benzamide

Systemtic Name: sodium N-(2-bromoethyl)-2-methyl-4-oxidanidylperoxysulfanyl-benzamide Openeye Name: sodium N-(2-bromoethyl)-2-methyl-4-oxidoperoxysulfanyl-benzamide CAS Name: sodium 4-[(2-bromoethylamino)-oxomethyl]-3-methylbenzenesulfenic acid oxidooxy ester IUPAC Name: sodium N-(2-bromoethyl)-2-methyl-4-oxidoperoxysulfanylbenzamide Traditional Name: sodium N-(2-bromoethyl)-2-methyl-4-(oxidoperoxythio)benzamide Formula: C10H11BrNNaO4S MolecularWeight: 344.15741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)SOO[O-])C(=O)NCCBr.[Na+]

Isomeric SMILES

CC1=C(C=CC(=C1)SOO[O-])C(=O)NCCBr.[Na+]

InChI

InChI=1S/C10H12BrNO4S.Na/c1-7-6-8(17-16-15-14)2-3-9(7)10(13)12-5-4-11;/h2-3,6,14H,4-5H2,1H3,(H,12,13);/q;+1/p-1