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

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-4-ethoxy-benzenesulfonamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-4-ethoxy-benzenesulfonamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-2-quinoxalinyl]-4-ethoxybenzenesulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-4-ethoxybenzenesulfonamide Traditional Name: 4-ethoxy-N-[3-(piperonylamino)quinoxalin-2-yl]benzenesulfonamide Formula: C24H22N4O5S MolecularWeight: 478.52028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H22N4O5S/c1-2-31-17-8-10-18(11-9-17)34(29,30)28-24-23(26-19-5-3-4-6-20(19)27-24)25-14-16-7-12-21-22(13-16)33-15-32-21/h3-13H,2,14-15H2,1H3,(H,25,26)(H,27,28)