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

Systemtic Name: 3-[(4-butoxy-2-chloranyl-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(4-butoxy-2-chloro-phenyl)methyl]-2-methyl-N-(p-tolylsulfonyl)benzimidazole-5-carboxamide CAS Name: 3-[(4-butoxy-2-chlorophenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(4-butoxy-2-chlorophenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-(4-butoxy-2-chloro-benzyl)-2-methyl-N-tosyl-benzimidazole-5-carboxamide Formula: C27H28ClN3O4S MolecularWeight: 526.04692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=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

CCCCOC1=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/C27H28ClN3O4S/c1-4-5-14-35-22-10-8-21(24(28)16-22)17-31-19(3)29-25-13-9-20(15-26(25)31)27(32)30-36(33,34)23-11-6-18(2)7-12-23/h6-13,15-16H,4-5,14,17H2,1-3H3,(H,30,32)