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

Systemtic Name: 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethylsulfanyl]-N,N,1-triethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(1,3-dioxoisoindolin-2-yl)ethylsulfanyl]-N,N,1-triethyl-benzimidazole-5-sulfonamide CAS Name: 2-[2-(1,3-dioxo-2-isoindolyl)ethylthio]-N,N,1-triethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(1,3-dioxoisoindol-2-yl)ethylsulfanyl]-N,N,1-triethylbenzimidazole-5-sulfonamide Traditional Name: N,N,1-triethyl-2-(2-phthalimidoethylthio)benzimidazole-5-sulfonamide Formula: C23H26N4O4S2 MolecularWeight: 486.60694

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H26N4O4S2/c1-4-25(5-2)33(30,31)16-11-12-20-19(15-16)24-23(26(20)6-3)32-14-13-27-21(28)17-9-7-8-10-18(17)22(27)29/h7-12,15H,4-6,13-14H2,1-3H3