(4-bromanylpyridin-3-yl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone

Systemtic Name: (4-bromanylpyridin-3-yl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone Openeye Name: (4-bromo-3-pyridyl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone CAS Name: (4-bromo-3-pyridinyl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone IUPAC Name: (4-bromopyridin-3-yl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone Traditional Name: (4-bromo-3-pyridyl)-[6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]methanone Formula: C20H14BrNO5S MolecularWeight: 460.29786

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2C(=O)C4=C(C=CN=C4)Br)OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2C(=O)C4=C(C=CN=C4)Br)OCO3

InChI

InChI=1S/C20H14BrNO5S/c1-28(24,25)13-4-2-12(3-5-13)14-8-18-19(27-11-26-18)9-15(14)20(23)16-10-22-7-6-17(16)21/h2-10H,11H2,1H3