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

Systemtic Name: 3-[(2-chloranyl-4-methylsulfanyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-methylsulfanyl-phenyl)methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[[2-chloro-4-(methylthio)phenyl]methyl]-2-methyl-N-pentylsulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-methylsulfanylphenyl)methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide Traditional Name: N-amylsulfonyl-3-[2-chloro-4-(methylthio)benzyl]-2-methyl-benzimidazole-5-carboxamide Formula: C22H26ClN3O3S2 MolecularWeight: 480.04314

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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)Cl)C

Isomeric SMILES

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

InChI

InChI=1S/C22H26ClN3O3S2/c1-4-5-6-11-31(28,29)25-22(27)16-8-10-20-21(12-16)26(15(2)24-20)14-17-7-9-18(30-3)13-19(17)23/h7-10,12-13H,4-6,11,14H2,1-3H3,(H,25,27)