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

Systemtic Name: 3-[(4-tert-butylsulfanyl-2-chloranyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(4-tert-butylsulfanyl-2-chloro-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[[4-(tert-butylthio)-2-chlorophenyl]methyl]-2-methyl-N-pentylsulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(4-tert-butylsulfanyl-2-chlorophenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide Traditional Name: N-amylsulfonyl-3-[4-(tert-butylthio)-2-chloro-benzyl]-2-methyl-benzimidazole-5-carboxamide Formula: C25H32ClN3O3S2 MolecularWeight: 522.12288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)SC(C)(C)C)Cl)C

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)SC(C)(C)C)Cl)C

InChI

InChI=1S/C25H32ClN3O3S2/c1-6-7-8-13-34(31,32)28-24(30)18-10-12-22-23(14-18)29(17(2)27-22)16-19-9-11-20(15-21(19)26)33-25(3,4)5/h9-12,14-15H,6-8,13,16H2,1-5H3,(H,28,30)