5-[(3-chlorophenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole

Systemtic Name: 5-[(3-chlorophenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Openeye Name: 5-[(3-chlorophenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole CAS Name: 5-[(3-chlorophenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole IUPAC Name: 5-[(3-chlorophenyl)methyl]-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Traditional Name: 5-(3-chlorobenzyl)-6-(4-mesylphenyl)-1,3-benzodioxole Formula: C21H17ClO4S MolecularWeight: 400.87528

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CC4=CC(=CC=C4)Cl)OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CC4=CC(=CC=C4)Cl)OCO3

InChI

InChI=1S/C21H17ClO4S/c1-27(23,24)18-7-5-15(6-8-18)19-12-21-20(25-13-26-21)11-16(19)9-14-3-2-4-17(22)10-14/h2-8,10-12H,9,13H2,1H3