7-(2-methylsulfonylsulfanylethylamino)-2,1,3-benzoxadiazole-4-sulfonamide

Systemtic Name: 7-(2-methylsulfonylsulfanylethylamino)-2,1,3-benzoxadiazole-4-sulfonamide Openeye Name: 7-(2-methylsulfonylsulfanylethylamino)-2,1,3-benzoxadiazole-4-sulfonamide CAS Name: 7-[2-(methylsulfonylthio)ethylamino]-2,1,3-benzoxadiazole-4-sulfonamide IUPAC Name: 7-(2-methylsulfonylsulfanylethylamino)-2,1,3-benzoxadiazole-4-sulfonamide Traditional Name: 7-[2-(mesylthio)ethylamino]benzofurazan-4-sulfonamide Formula: C9H12N4O5S3 MolecularWeight: 352.41038

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)SCCNC1=CC=C(C2=NON=C12)S(=O)(=O)N

Isomeric SMILES

CS(=O)(=O)SCCNC1=CC=C(C2=NON=C12)S(=O)(=O)N

InChI

InChI=1S/C9H12N4O5S3/c1-20(14,15)19-5-4-11-6-2-3-7(21(10,16)17)9-8(6)12-18-13-9/h2-3,11H,4-5H2,1H3,(H2,10,16,17)