N-[3-(3-propan-2-ylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: N-[3-(3-propan-2-ylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-(3-isopropylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-(3-propan-2-yl-1-imidazol-3-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-(3-propan-2-ylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-(3-isopropylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C20H20N5O2S+ MolecularWeight: 394.4701

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CC(C)[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C20H20N5O2S/c1-15(2)24-12-13-25(14-24)20-19(21-17-10-6-7-11-18(17)22-20)23-28(26,27)16-8-4-3-5-9-16/h3-15H,1-2H3,(H,21,23)/q+1