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

Systemtic Name: 4-bromanyl-N-[3-(3-propan-2-ylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(3-isopropylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-bromo-N-[3-(3-propan-2-yl-1-imidazol-3-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(3-propan-2-ylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-(3-isopropylimidazol-3-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C20H19BrN5O2S+ MolecularWeight: 473.36616

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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=C(C=C4)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN5O2S/c1-14(2)25-11-12-26(13-25)20-19(22-17-5-3-4-6-18(17)23-20)24-29(27,28)16-9-7-15(21)8-10-16/h3-14H,1-2H3,(H,22,24)/q+1