N-[3-[3-(phenylmethyl)imidazol-3-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: N-[3-[3-(phenylmethyl)imidazol-3-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-[3-(phenylmethyl)-1-imidazol-3-iumyl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C24H20N5O2S+ MolecularWeight: 442.5129

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C[N+]2=CN(C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C[N+]2=CN(C=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H20N5O2S/c30-32(31,20-11-5-2-6-12-20)27-23-24(26-22-14-8-7-13-21(22)25-23)29-16-15-28(18-29)17-19-9-3-1-4-10-19/h1-16,18H,17H2,(H,25,27)/q+1