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

Systemtic Name: 3-[(4-tert-butylsulfanyl-2-chloranyl-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(4-tert-butylsulfanyl-2-chloro-phenyl)methyl]-2-methyl-N-(p-tolylsulfonyl)benzimidazole-5-carboxamide CAS Name: 3-[[4-(tert-butylthio)-2-chlorophenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-[4-(tert-butylthio)-2-chloro-benzyl]-2-methyl-N-tosyl-benzimidazole-5-carboxamide Formula: C27H28ClN3O3S2 MolecularWeight: 542.11252

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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(C)(C)C)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(C)(C)C)Cl)C

InChI

InChI=1S/C27H28ClN3O3S2/c1-17-6-11-22(12-7-17)36(33,34)30-26(32)19-9-13-24-25(14-19)31(18(2)29-24)16-20-8-10-21(15-23(20)28)35-27(3,4)5/h6-15H,16H2,1-5H3,(H,30,32)