3-[(E)-1-(2-chlorophenyl)hept-2-enyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide

Systemtic Name: 3-[(E)-1-(2-chlorophenyl)hept-2-enyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(E)-1-(2-chlorophenyl)hept-2-enyl]-2-methyl-N-(p-tolylsulfonyl)benzimidazole-5-carboxamide CAS Name: 3-[(E)-1-(2-chlorophenyl)hept-2-enyl]-2-methyl-N-(4-methylphenyl)sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(E)-1-(2-chlorophenyl)hept-2-enyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-[(E)-1-(2-chlorophenyl)hept-2-enyl]-2-methyl-N-tosyl-benzimidazole-5-carboxamide Formula: C29H30ClN3O3S MolecularWeight: 536.0848

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC=CC(C1=CC=CC=C1Cl)N2C(=NC3=C2C=C(C=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CCCC/C=C/C(C1=CC=CC=C1Cl)N2C(=NC3=C2C=C(C=C3)C(=O)NS(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C29H30ClN3O3S/c1-4-5-6-7-12-27(24-10-8-9-11-25(24)30)33-21(3)31-26-18-15-22(19-28(26)33)29(34)32-37(35,36)23-16-13-20(2)14-17-23/h7-19,27H,4-6H2,1-3H3,(H,32,34)/b12-7+