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

Systemtic Name: 3-[[2-chloranyl-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide Openeye Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-pentylsulfonyl-benzimidazole-5-carboxamide CAS Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-pentylsulfonyl-5-benzimidazolecarboxamide IUPAC Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-pentylsulfonylbenzimidazole-5-carboxamide Traditional Name: N-amylsulfonyl-3-[2-chloro-4-(2-phenylethynyl)benzyl]-2-methyl-benzimidazole-5-carboxamide Formula: C29H28ClN3O3S MolecularWeight: 534.06892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)C#CC4=CC=CC=C4)Cl)C

Isomeric SMILES

CCCCCS(=O)(=O)NC(=O)C1=CC2=C(C=C1)N=C(N2CC3=C(C=C(C=C3)C#CC4=CC=CC=C4)Cl)C

InChI

InChI=1S/C29H28ClN3O3S/c1-3-4-8-17-37(35,36)32-29(34)24-15-16-27-28(19-24)33(21(2)31-27)20-25-14-13-23(18-26(25)30)12-11-22-9-6-5-7-10-22/h5-7,9-10,13-16,18-19H,3-4,8,17,20H2,1-2H3,(H,32,34)