4-bromanyl-N-[3-(3-butylimidazol-3-ium-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-(3-butylimidazol-3-ium-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(3-butylimidazol-3-ium-1-yl)-1,4-dioxo-2-naphthyl]benzenesulfonamide CAS Name: 4-bromo-N-[3-(3-butyl-1-imidazol-3-iumyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(3-butylimidazol-3-ium-1-yl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[3-(3-butylimidazol-3-ium-1-yl)-1,4-diketo-2-naphthyl]benzenesulfonamide Formula: C23H21BrN3O4S+ MolecularWeight: 515.39954

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]1=CN(C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CCCC[N+]1=CN(C=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C23H20BrN3O4S/c1-2-3-12-26-13-14-27(15-26)21-20(22(28)18-6-4-5-7-19(18)23(21)29)25-32(30,31)17-10-8-16(24)9-11-17/h4-11,13-15H,2-3,12H2,1H3/p+1