N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-3,4-dimethyl-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-3,4-dimethyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-3,4-dimethyl-benzenesulfonamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-2-quinoxalinyl]-3,4-dimethylbenzenesulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-3,4-dimethylbenzenesulfonamide Traditional Name: 3,4-dimethyl-N-[3-(piperonylamino)quinoxalin-2-yl]benzenesulfonamide Formula: C24H22N4O4S MolecularWeight: 462.52088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C24H22N4O4S/c1-15-7-9-18(11-16(15)2)33(29,30)28-24-23(26-19-5-3-4-6-20(19)27-24)25-13-17-8-10-21-22(12-17)32-14-31-21/h3-12H,13-14H2,1-2H3,(H,25,26)(H,27,28)