2-[6-(6-methylpyridin-3-yl)-5-(4-methylsulfonylphenyl)pyridin-3-yl]isoindole-1,3-dione

Systemtic Name: 2-[6-(6-methylpyridin-3-yl)-5-(4-methylsulfonylphenyl)pyridin-3-yl]isoindole-1,3-dione Openeye Name: 2-[6-(6-methyl-3-pyridyl)-5-(4-methylsulfonylphenyl)-3-pyridyl]isoindoline-1,3-dione CAS Name: 2-[6-(6-methyl-3-pyridinyl)-5-(4-methylsulfonylphenyl)-3-pyridinyl]isoindole-1,3-dione IUPAC Name: 2-[6-(6-methylpyridin-3-yl)-5-(4-methylsulfonylphenyl)pyridin-3-yl]isoindole-1,3-dione Traditional Name: 2-[5-(4-mesylphenyl)-6-(6-methyl-3-pyridyl)-3-pyridyl]isoindoline-1,3-quinone Formula: C26H19N3O4S MolecularWeight: 469.51176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)N4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

CC1=NC=C(C=C1)C2=NC=C(C=C2C3=CC=C(C=C3)S(=O)(=O)C)N4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C26H19N3O4S/c1-16-7-8-18(14-27-16)24-23(17-9-11-20(12-10-17)34(2,32)33)13-19(15-28-24)29-25(30)21-5-3-4-6-22(21)26(29)31/h3-15H,1-2H3