(2-fluoranyl-5-methyl-phenyl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone

Systemtic Name: (2-fluoranyl-5-methyl-phenyl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone Openeye Name: (2-fluoro-5-methyl-phenyl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone CAS Name: (2-fluoro-5-methylphenyl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone IUPAC Name: (2-fluoro-5-methylphenyl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone Traditional Name: (2-fluoro-5-methyl-phenyl)-[6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]methanone Formula: C22H17FO5S MolecularWeight: 412.430783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)C(=O)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

Isomeric SMILES

CC1=CC(=C(C=C1)F)C(=O)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

InChI

InChI=1S/C22H17FO5S/c1-13-3-8-19(23)18(9-13)22(24)17-11-21-20(27-12-28-21)10-16(17)14-4-6-15(7-5-14)29(2,25)26/h3-11H,12H2,1-2H3