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

Systemtic Name: 3-[(2-chloranyl-4-phenylmethoxy-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(4-benzyloxy-2-chloro-phenyl)methyl]-2-methyl-N-(p-tolylsulfonyl)benzimidazole-5-carboxamide CAS Name: 3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-phenylmethoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-(4-benzoxy-2-chloro-benzyl)-2-methyl-N-tosyl-benzimidazole-5-carboxamide Formula: C30H26ClN3O4S MolecularWeight: 560.06314

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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)OCC5=CC=CC=C5)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)OCC5=CC=CC=C5)Cl)C

InChI

InChI=1S/C30H26ClN3O4S/c1-20-8-13-26(14-9-20)39(36,37)33-30(35)23-11-15-28-29(16-23)34(21(2)32-28)18-24-10-12-25(17-27(24)31)38-19-22-6-4-3-5-7-22/h3-17H,18-19H2,1-2H3,(H,33,35)