[3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]-(phenylsulfonyl)azanide

Systemtic Name: [3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]-(phenylsulfonyl)azanide Openeye Name: benzenesulfonyl-[3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide CAS Name: benzenesulfonyl-[3-(3-pentyl-1-imidazol-3-iumyl)-2-quinoxalinyl]azanide IUPAC Name: benzenesulfonyl-[3-(3-pentylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Traditional Name: [3-(3-amylimidazol-3-ium-1-yl)quinoxalin-2-yl]-besyl-azanide Formula: C22H23N5O2S MolecularWeight: 421.51532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCCC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H23N5O2S/c1-2-3-9-14-26-15-16-27(17-26)22-21(23-19-12-7-8-13-20(19)24-22)25-30(28,29)18-10-5-4-6-11-18/h4-8,10-13,15-17H,2-3,9,14H2,1H3