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

Systemtic Name: 5-[(2-fluoranyl-5-methyl-phenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Openeye Name: 5-[(2-fluoro-5-methyl-phenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole CAS Name: 5-[(2-fluoro-5-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole IUPAC Name: 5-[(2-fluoro-5-methylphenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Traditional Name: 5-(2-fluoro-5-methyl-benzyl)-6-(4-mesylphenyl)-1,3-benzodioxole Formula: C22H19FO4S MolecularWeight: 398.447263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)F)CC2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

Isomeric SMILES

CC1=CC(=C(C=C1)F)CC2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)C)OCO3

InChI

InChI=1S/C22H19FO4S/c1-14-3-8-20(23)17(9-14)10-16-11-21-22(27-13-26-21)12-19(16)15-4-6-18(7-5-15)28(2,24)25/h3-9,11-12H,10,13H2,1-2H3