4-chloranyl-N-[3-(3-pentylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[3-(3-pentylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-chloro-N-[3-(3-pentylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-chloro-N-[3-(3-pentyl-1-benzimidazol-3-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[3-(3-pentylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-(3-amylbenzimidazol-3-ium-1-yl)quinoxalin-2-yl]-4-chloro-benzenesulfonamide Formula: C26H25ClN5O2S+ MolecularWeight: 507.027

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[N+]1=CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Cl

Isomeric SMILES

CCCCC[N+]1=CN(C2=CC=CC=C21)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C26H25ClN5O2S/c1-2-3-8-17-31-18-32(24-12-7-6-11-23(24)31)26-25(28-21-9-4-5-10-22(21)29-26)30-35(33,34)20-15-13-19(27)14-16-20/h4-7,9-16,18H,2-3,8,17H2,1H3,(H,28,30)/q+1