N'-[2-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethyl]methanedisulfonamide

Systemtic Name: N'-[2-(6-methoxy-7-methyl-4-oxidanyl-3-oxidanylidene-1H-2-benzofuran-5-yl)ethyl]methanedisulfonamide Openeye Name: N'-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethyl]methanedisulfonamide CAS Name: N'-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-isobenzofuran-5-yl)ethyl]methanedisulfonamide IUPAC Name: N'-[2-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1H-2-benzofuran-5-yl)ethyl]methanedisulfonamide Traditional Name: N'-[2-(4-hydroxy-3-keto-6-methoxy-7-methyl-phthalan-5-yl)ethyl]methanedisulfonamide Formula: C13H18N2O8S2 MolecularWeight: 394.42062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1COC2=O)O)CCNS(=O)(=O)CS(=O)(=O)N)OC

Isomeric SMILES

CC1=C(C(=C(C2=C1COC2=O)O)CCNS(=O)(=O)CS(=O)(=O)N)OC

InChI

InChI=1S/C13H18N2O8S2/c1-7-9-5-23-13(17)10(9)11(16)8(12(7)22-2)3-4-15-25(20,21)6-24(14,18)19/h15-16H,3-6H2,1-2H3,(H2,14,18,19)