bis[2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)pyridin-3-yl]methanone

Systemtic Name: bis[2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)pyridin-3-yl]methanone Openeye Name: bis[2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-3-pyridyl]methanone CAS Name: bis[2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)-3-pyridinyl]methanone IUPAC Name: bis[2-(1,3-benzodioxol-5-yl)-6-(4-methylsulfonylphenyl)pyridin-3-yl]methanone Traditional Name: bis[2-(1,3-benzodioxol-5-yl)-6-(4-mesylphenyl)-3-pyridyl]methanone Formula: C39H28N2O9S2 MolecularWeight: 732.77762

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)C3=C(N=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C)C5=CC6=C(C=C5)OCO6)C7=CC8=C(C=C7)OCO8

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NC(=C(C=C2)C(=O)C3=C(N=C(C=C3)C4=CC=C(C=C4)S(=O)(=O)C)C5=CC6=C(C=C5)OCO6)C7=CC8=C(C=C7)OCO8

InChI

InChI=1S/C39H28N2O9S2/c1-51(43,44)27-9-3-23(4-10-27)31-15-13-29(37(40-31)25-7-17-33-35(19-25)49-21-47-33)39(42)30-14-16-32(24-5-11-28(12-6-24)52(2,45)46)41-38(30)26-8-18-34-36(20-26)50-22-48-34/h3-20H,21-22H2,1-2H3