4-[6-(4-methoxy-3,5-dimethyl-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide

Systemtic Name: 4-[6-(4-methoxy-3,5-dimethyl-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: 4-[6-(4-methoxy-3,5-dimethyl-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: 4-[6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: 4-[6-(4-methoxy-3,5-dimethylphenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: 4-[6-(4-methoxy-3,5-dimethyl-phenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide Formula: C22H21NO5S MolecularWeight: 411.47084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)N)OCO3

Isomeric SMILES

CC1=CC(=CC(=C1OC)C)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)N)OCO3

InChI

InChI=1S/C22H21NO5S/c1-13-8-16(9-14(2)22(13)26-3)19-11-21-20(27-12-28-21)10-18(19)15-4-6-17(7-5-15)29(23,24)25/h4-11H,12H2,1-3H3,(H2,23,24,25)