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

Systemtic Name: 3-[[2-chloranyl-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-(p-tolylsulfonyl)benzimidazole-5-carboxamide CAS Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-[2-chloro-4-(2-phenylethynyl)benzyl]-2-methyl-N-tosyl-benzimidazole-5-carboxamide Formula: C31H24ClN3O3S MolecularWeight: 554.05856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(C=C2)N=C(N3CC4=C(C=C(C=C4)C#CC5=CC=CC=C5)Cl)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(C=C2)N=C(N3CC4=C(C=C(C=C4)C#CC5=CC=CC=C5)Cl)C

InChI

InChI=1S/C31H24ClN3O3S/c1-21-8-15-27(16-9-21)39(37,38)34-31(36)25-14-17-29-30(19-25)35(22(2)33-29)20-26-13-12-24(18-28(26)32)11-10-23-6-4-3-5-7-23/h3-9,12-19H,20H2,1-2H3,(H,34,36)