3-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide

Systemtic Name: 3-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-methylsulfanyl-phenyl)methyl]-2-methyl-N-(p-tolylsulfonyl)benzimidazole-5-carboxamide CAS Name: 3-[[2-chloro-4-(methylthio)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-methylsulfanylphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-[2-chloro-4-(methylthio)benzyl]-2-methyl-N-tosyl-benzimidazole-5-carboxamide Formula: C24H22ClN3O3S2 MolecularWeight: 500.03278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(C=C2)N=C(N3CC4=C(C=C(C=C4)SC)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(C=C2)N=C(N3CC4=C(C=C(C=C4)SC)Cl)C

InChI

InChI=1S/C24H22ClN3O3S2/c1-15-4-9-20(10-5-15)33(30,31)27-24(29)17-7-11-22-23(12-17)28(16(2)26-22)14-18-6-8-19(32-3)13-21(18)25/h4-13H,14H2,1-3H3,(H,27,29)