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

Systemtic Name: 3-[(2-chloranyl-4-pent-1-ynyl-phenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[(2-chloro-4-pent-1-ynyl-phenyl)methyl]-2-methyl-N-(p-tolylsulfonyl)benzimidazole-5-carboxamide CAS Name: 3-[(2-chloro-4-pent-1-ynylphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[(2-chloro-4-pent-1-ynylphenyl)methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-(2-chloro-4-pent-1-ynyl-benzyl)-2-methyl-N-tosyl-benzimidazole-5-carboxamide Formula: C28H26ClN3O3S MolecularWeight: 520.04234

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Descriptors Computed from Structure

Canonical SMILES:

CCCC#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

CCCC#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/C28H26ClN3O3S/c1-4-5-6-7-21-10-11-23(25(29)16-21)18-32-20(3)30-26-15-12-22(17-27(26)32)28(33)31-36(34,35)24-13-8-19(2)9-14-24/h8-17H,4-5,18H2,1-3H3,(H,31,33)