3-[(2-chloranyl-4-hept-1-ynyl-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide

Systemtic Name: 3-[(2-chloranyl-4-hept-1-ynyl-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-hept-1-ynyl-phenyl)methyl]-2-methyl-N-(p-tolylsulfonyl)benzimidazole-5-carboxamide CAS Name: 3-[(2-chloro-4-hept-1-ynylphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-hept-1-ynylphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-(2-chloro-4-hept-1-ynyl-benzyl)-2-methyl-N-tosyl-benzimidazole-5-carboxamide Formula: C30H30ClN3O3S MolecularWeight: 548.0955

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC#CC1=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

CCCCCC#CC1=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/C30H30ClN3O3S/c1-4-5-6-7-8-9-23-12-13-25(27(31)18-23)20-34-22(3)32-28-17-14-24(19-29(28)34)30(35)33-38(36,37)26-15-10-21(2)11-16-26/h10-19H,4-7,20H2,1-3H3,(H,33,35)