2-(3,4-dimethoxyphenyl)sulfonyl-4-(2-pyridin-2-ylethynyl)-1,3-dihydroisoindole

Systemtic Name: 2-(3,4-dimethoxyphenyl)sulfonyl-4-(2-pyridin-2-ylethynyl)-1,3-dihydroisoindole Openeye Name: 2-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(2-pyridyl)ethynyl]isoindoline CAS Name: 2-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(2-pyridinyl)ethynyl]-1,3-dihydroisoindole IUPAC Name: 2-(3,4-dimethoxyphenyl)sulfonyl-4-(2-pyridin-2-ylethynyl)-1,3-dihydroisoindole Traditional Name: 2-(3,4-dimethoxyphenyl)sulfonyl-4-[2-(2-pyridyl)ethynyl]isoindoline Formula: C23H20N2O4S MolecularWeight: 420.4809

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC(=C3C2)C#CC4=CC=CC=N4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC3=CC=CC(=C3C2)C#CC4=CC=CC=N4)OC

InChI

InChI=1S/C23H20N2O4S/c1-28-22-12-11-20(14-23(22)29-2)30(26,27)25-15-18-7-5-6-17(21(18)16-25)9-10-19-8-3-4-13-24-19/h3-8,11-14H,15-16H2,1-2H3