N-[3-(2-methylpropylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide

Systemtic Name: N-[3-(2-methylpropylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(isobutylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(2-methylpropylamino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(2-methylpropylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(isobutylamino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C18H18N6O2S2 MolecularWeight: 414.50452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CC(C)CNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C18H18N6O2S2/c1-11(2)10-19-17-18(21-13-7-4-3-6-12(13)20-17)24-28(25,26)15-9-5-8-14-16(15)23-27-22-14/h3-9,11H,10H2,1-2H3,(H,19,20)(H,21,24)