N-[2-[3-(dimethylamino)-4-fluoranyl-phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide

Systemtic Name: N-[2-[3-(dimethylamino)-4-fluoranyl-phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Openeye Name: N-[2-[3-(dimethylamino)-4-fluoro-phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide CAS Name: N-[2-[3-(dimethylamino)-4-fluorophenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide IUPAC Name: N-[2-[3-(dimethylamino)-4-fluorophenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Traditional Name: N-[2-[3-(dimethylamino)-4-fluoro-phenyl]-1,3-benzodioxol-5-yl]benzenesulfonamide Formula: C21H19FN2O4S MolecularWeight: 414.449963

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=CC(=C1)C2OC3=C(O2)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)F

Isomeric SMILES

CN(C)C1=C(C=CC(=C1)C2OC3=C(O2)C=C(C=C3)NS(=O)(=O)C4=CC=CC=C4)F

InChI

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