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

Systemtic Name: 3-[(2-chloranyl-4-pentoxy-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-pentoxy-phenyl)methyl]-2-methyl-N-(p-tolylsulfonyl)benzimidazole-5-carboxamide CAS Name: 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-pentoxyphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-(4-amoxy-2-chloro-benzyl)-2-methyl-N-tosyl-benzimidazole-5-carboxamide Formula: C28H30ClN3O4S MolecularWeight: 540.0735

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=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

CCCCCOC1=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/C28H30ClN3O4S/c1-4-5-6-15-36-23-11-9-22(25(29)17-23)18-32-20(3)30-26-14-10-21(16-27(26)32)28(33)31-37(34,35)24-12-7-19(2)8-13-24/h7-14,16-17H,4-6,15,18H2,1-3H3,(H,31,33)