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

Systemtic Name: 3-[[2-chloranyl-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-[(E)-styryl]sulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-[(E)-2-phenylethenyl]sulfonylbenzimidazole-5-carboxamide Traditional Name: 3-[2-chloro-4-(2-phenylethynyl)benzyl]-2-methyl-N-[(E)-styryl]sulfonyl-benzimidazole-5-carboxamide Formula: C32H24ClN3O3S MolecularWeight: 566.06926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C=C(C=C3)C#CC4=CC=CC=C4)Cl)C=C(C=C2)C(=O)NS(=O)(=O)C=CC5=CC=CC=C5

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C=C(C=C3)C#CC4=CC=CC=C4)Cl)C=C(C=C2)C(=O)NS(=O)(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C32H24ClN3O3S/c1-23-34-30-17-16-27(32(37)35-40(38,39)19-18-25-10-6-3-7-11-25)21-31(30)36(23)22-28-15-14-26(20-29(28)33)13-12-24-8-4-2-5-9-24/h2-11,14-21H,22H2,1H3,(H,35,37)/b19-18+