N,N-diethyl-1-(4-methoxyphenyl)-2-(2-oxidanylidenepropylsulfanyl)benzimidazole-5-sulfonamide

Systemtic Name: N,N-diethyl-1-(4-methoxyphenyl)-2-(2-oxidanylidenepropylsulfanyl)benzimidazole-5-sulfonamide Openeye Name: 2-acetonylsulfanyl-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-1-(4-methoxyphenyl)-2-(2-oxopropylthio)-5-benzimidazolesulfonamide IUPAC Name: N,N-diethyl-1-(4-methoxyphenyl)-2-(2-oxopropylsulfanyl)benzimidazole-5-sulfonamide Traditional Name: 2-(acetonylthio)-N,N-diethyl-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)C)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC2=C(C=C1)N(C(=N2)SCC(=O)C)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H25N3O4S2/c1-5-23(6-2)30(26,27)18-11-12-20-19(13-18)22-21(29-14-15(3)25)24(20)16-7-9-17(28-4)10-8-16/h7-13H,5-6,14H2,1-4H3