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

Systemtic Name: 3-[(2-chloranyl-4-octoxy-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-octoxy-phenyl)methyl]-2-methyl-N-(p-tolylsulfonyl)benzimidazole-5-carboxamide CAS Name: 3-[(2-chloro-4-octoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-octoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-(2-chloro-4-octoxy-benzyl)-2-methyl-N-tosyl-benzimidazole-5-carboxamide Formula: C31H36ClN3O4S MolecularWeight: 582.15324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C)Cl

Isomeric SMILES

CCCCCCCCOC1=CC(=C(C=C1)CN2C(=NC3=C2C=C(C=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C)Cl

InChI

InChI=1S/C31H36ClN3O4S/c1-4-5-6-7-8-9-18-39-26-14-12-25(28(32)20-26)21-35-23(3)33-29-17-13-24(19-30(29)35)31(36)34-40(37,38)27-15-10-22(2)11-16-27/h10-17,19-20H,4-9,18,21H2,1-3H3,(H,34,36)