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

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-4-bromanyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-4-bromo-benzenesulfonamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-2-quinoxalinyl]-4-bromobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-4-bromobenzenesulfonamide Traditional Name: 4-bromo-N-[3-(piperonylamino)quinoxalin-2-yl]benzenesulfonamide Formula: C22H17BrN4O4S MolecularWeight: 513.36378

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C22H17BrN4O4S/c23-15-6-8-16(9-7-15)32(28,29)27-22-21(25-17-3-1-2-4-18(17)26-22)24-12-14-5-10-19-20(11-14)31-13-30-19/h1-11H,12-13H2,(H,24,25)(H,26,27)