N,N-diethyl-1-(4-methoxyphenyl)-2-(3-oxidanylidenebutan-2-ylsulfanyl)benzimidazole-5-sulfonamide

Systemtic Name: N,N-diethyl-1-(4-methoxyphenyl)-2-(3-oxidanylidenebutan-2-ylsulfanyl)benzimidazole-5-sulfonamide Openeye Name: N,N-diethyl-1-(4-methoxyphenyl)-2-(1-methyl-2-oxo-propyl)sulfanyl-benzimidazole-5-sulfonamide CAS Name: N,N-diethyl-1-(4-methoxyphenyl)-2-(3-oxobutan-2-ylthio)-5-benzimidazolesulfonamide IUPAC Name: N,N-diethyl-1-(4-methoxyphenyl)-2-(3-oxobutan-2-ylsulfanyl)benzimidazole-5-sulfonamide Traditional Name: N,N-diethyl-2-[(2-keto-1-methyl-propyl)thio]-1-(4-methoxyphenyl)benzimidazole-5-sulfonamide Formula: C22H27N3O4S2 MolecularWeight: 461.59748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O4S2/c1-6-24(7-2)31(27,28)19-12-13-21-20(14-19)23-22(30-16(4)15(3)26)25(21)17-8-10-18(29-5)11-9-17/h8-14,16H,6-7H2,1-5H3