5-(4-methylsulfonylphenyl)-6-(phenylmethyl)-1,3-benzodioxole

Systemtic Name: 5-(4-methylsulfonylphenyl)-6-(phenylmethyl)-1,3-benzodioxole Openeye Name: 5-benzyl-6-(4-methylsulfonylphenyl)-1,3-benzodioxole CAS Name: 5-(4-methylsulfonylphenyl)-6-(phenylmethyl)-1,3-benzodioxole IUPAC Name: 5-benzyl-6-(4-methylsulfonylphenyl)-1,3-benzodioxole Traditional Name: 5-benzyl-6-(4-mesylphenyl)-1,3-benzodioxole Formula: C21H18O4S MolecularWeight: 366.43022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18O4S/c1-26(22,23)18-9-7-16(8-10-18)19-13-21-20(24-14-25-21)12-17(19)11-15-5-3-2-4-6-15/h2-10,12-13H,11,14H2,1H3