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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O2S/c1-17(2)12-13-26-14-15-27(16-26)22-21(23-19-10-6-7-11-20(19)24-22)25-30(28,29)18-8-4-3-5-9-18/h3-11,14-17H,12-13H2,1-2H3