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

Systemtic Name: [3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]-(phenylsulfonyl)azanide Openeye Name: benzenesulfonyl-[3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide CAS Name: benzenesulfonyl-[3-(3-butyl-1-imidazol-3-iumyl)-2-quinoxalinyl]azanide IUPAC Name: benzenesulfonyl-[3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Traditional Name: besyl-[3-(3-butylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-2-3-13-25-14-15-26(16-25)21-20(22-18-11-7-8-12-19(18)23-21)24-29(27,28)17-9-5-4-6-10-17/h4-12,14-16H,2-3,13H2,1H3