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

Systemtic Name: N-[3-(hexylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Openeye Name: N-[3-(hexylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide CAS Name: N-[3-(hexylamino)-2-quinoxalinyl]-2,1,3-benzothiadiazole-4-sulfonamide IUPAC Name: N-[3-(hexylamino)quinoxalin-2-yl]-2,1,3-benzothiadiazole-4-sulfonamide Traditional Name: N-[3-(hexylamino)quinoxalin-2-yl]piazthiole-4-sulfonamide Formula: C20H22N6O2S2 MolecularWeight: 442.55768

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

CCCCCCNC1=NC2=CC=CC=C2N=C1NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C20H22N6O2S2/c1-2-3-4-7-13-21-19-20(23-15-10-6-5-9-14(15)22-19)26-30(27,28)17-12-8-11-16-18(17)25-29-24-16/h5-6,8-12H,2-4,7,13H2,1H3,(H,21,22)(H,23,26)