4-[6-[4-(dimethylamino)-3-fluoranyl-phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide

Systemtic Name: 4-[6-[4-(dimethylamino)-3-fluoranyl-phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: 4-[6-[4-(dimethylamino)-3-fluoro-phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: 4-[6-[4-(dimethylamino)-3-fluorophenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: 4-[6-[4-(dimethylamino)-3-fluorophenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: 4-[6-[4-(dimethylamino)-3-fluoro-phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Formula: C21H19FN2O4S MolecularWeight: 414.449963

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)N)OCO3)F

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C2=CC3=C(C=C2C4=CC=C(C=C4)S(=O)(=O)N)OCO3)F

InChI

InChI=1S/C21H19FN2O4S/c1-24(2)19-8-5-14(9-18(19)22)17-11-21-20(27-12-28-21)10-16(17)13-3-6-15(7-4-13)29(23,25)26/h3-11H,12H2,1-2H3,(H2,23,25,26)