3-[[2-chloranyl-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-1H-indole-5-carboxamide

Systemtic Name: 3-[[2-chloranyl-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-1H-indole-5-carboxamide Openeye Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-(p-tolylsulfonyl)-1H-indole-5-carboxamide CAS Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-1H-indole-5-carboxamide IUPAC Name: 3-[[2-chloro-4-(2-phenylethynyl)phenyl]methyl]-2-methyl-N-(4-methylphenyl)sulfonyl-1H-indole-5-carboxamide Traditional Name: 3-[2-chloro-4-(2-phenylethynyl)benzyl]-2-methyl-N-tosyl-1H-indole-5-carboxamide Formula: C32H25ClN2O3S MolecularWeight: 553.0705

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)C2=CC3=C(C=C2)NC(=C3CC4=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)NC(=C3CC4=C(C=C(C=C4)C#CC5=CC=CC=C5)Cl)C

InChI

InChI=1S/C32H25ClN2O3S/c1-21-8-15-27(16-9-21)39(37,38)35-32(36)26-14-17-31-29(20-26)28(22(2)34-31)19-25-13-12-24(18-30(25)33)11-10-23-6-4-3-5-7-23/h3-9,12-18,20,34H,19H2,1-2H3,(H,35,36)