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

Systemtic Name: (3-methylphenyl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone Openeye Name: [6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]-(m-tolyl)methanone CAS Name: (3-methylphenyl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone IUPAC Name: (3-methylphenyl)-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanone Traditional Name: [6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]-(m-tolyl)methanone Formula: C22H18O5S MolecularWeight: 394.44032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18O5S/c1-14-4-3-5-16(10-14)22(23)19-12-21-20(26-13-27-21)11-18(19)15-6-8-17(9-7-15)28(2,24)25/h3-12H,13H2,1-2H3