N-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-quinoxalin-2-yl]-4-chloranyl-benzenesulfonamide

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-quinoxalin-2-yl]-4-chloranyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-quinoxalin-2-yl]-4-chloro-benzenesulfonamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methyl-2-quinoxalinyl]-4-chlorobenzenesulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-6-methylquinoxalin-2-yl]-4-chlorobenzenesulfonamide Traditional Name: 4-chloro-N-[6-methyl-3-(piperonylamino)quinoxalin-2-yl]benzenesulfonamide Formula: C23H19ClN4O4S MolecularWeight: 482.93936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C(=N2)NCC3=CC4=C(C=C3)OCO4)NS(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C(=N2)NCC3=CC4=C(C=C3)OCO4)NS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C23H19ClN4O4S/c1-14-2-8-18-19(10-14)27-22(25-12-15-3-9-20-21(11-15)32-13-31-20)23(26-18)28-33(29,30)17-6-4-16(24)5-7-17/h2-11H,12-13H2,1H3,(H,25,27)(H,26,28)