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

Systemtic Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-3-methyl-benzenesulfonamide Openeye Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-3-methyl-benzenesulfonamide CAS Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)-2-quinoxalinyl]-3-methylbenzenesulfonamide IUPAC Name: N-[3-(1,3-benzodioxol-5-ylmethylamino)quinoxalin-2-yl]-3-methylbenzenesulfonamide Traditional Name: 3-methyl-N-[3-(piperonylamino)quinoxalin-2-yl]benzenesulfonamide Formula: C23H20N4O4S MolecularWeight: 448.4943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N4O4S/c1-15-5-4-6-17(11-15)32(28,29)27-23-22(25-18-7-2-3-8-19(18)26-23)24-13-16-9-10-20-21(12-16)31-14-30-20/h2-12H,13-14H2,1H3,(H,24,25)(H,26,27)