2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-N,N,1-triethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[1,3-bis(oxidanylidene)isoindol-2-yl]methylsulfanyl]-N,N,1-triethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(1,3-dioxoisoindolin-2-yl)methylsulfanyl]-N,N,1-triethyl-benzimidazole-5-sulfonamide CAS Name: 2-[(1,3-dioxo-2-isoindolyl)methylthio]-N,N,1-triethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(1,3-dioxoisoindol-2-yl)methylsulfanyl]-N,N,1-triethylbenzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-(phthalimidomethylthio)benzimidazole-5-sulfonamide Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H24N4O4S2/c1-4-24(5-2)32(29,30)15-11-12-19-18(13-15)23-22(25(19)6-3)31-14-26-20(27)16-9-7-8-10-17(16)21(26)28/h7-13H,4-6,14H2,1-3H3