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

Systemtic Name: 5-(4-methylsulfonylphenyl)-6-(3-phenylpropyl)-1,3-benzodioxole Openeye Name: 5-(4-methylsulfonylphenyl)-6-(3-phenylpropyl)-1,3-benzodioxole CAS Name: 5-(4-methylsulfonylphenyl)-6-(3-phenylpropyl)-1,3-benzodioxole IUPAC Name: 5-(4-methylsulfonylphenyl)-6-(3-phenylpropyl)-1,3-benzodioxole Traditional Name: 5-(4-mesylphenyl)-6-(3-phenylpropyl)-1,3-benzodioxole Formula: C23H22O4S MolecularWeight: 394.48338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CCCC4=CC=CC=C4)OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CCCC4=CC=CC=C4)OCO3

InChI

InChI=1S/C23H22O4S/c1-28(24,25)20-12-10-18(11-13-20)21-15-23-22(26-16-27-23)14-19(21)9-5-8-17-6-3-2-4-7-17/h2-4,6-7,10-15H,5,8-9,16H2,1H3