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

Systemtic Name: N-[1,4-bis(oxidanylidene)-3-(3-prop-2-enylimidazol-3-ium-1-yl)naphthalen-2-yl]-4-bromanyl-benzenesulfonamide Openeye Name: N-[3-(3-allylimidazol-3-ium-1-yl)-1,4-dioxo-2-naphthyl]-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[1,4-dioxo-3-(3-prop-2-enyl-1-imidazol-3-iumyl)-2-naphthalenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[1,4-dioxo-3-(3-prop-2-enylimidazol-3-ium-1-yl)naphthalen-2-yl]benzenesulfonamide Traditional Name: N-[3-(3-allylimidazol-3-ium-1-yl)-1,4-diketo-2-naphthyl]-4-bromo-benzenesulfonamide Formula: C22H17BrN3O4S+ MolecularWeight: 499.35708

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[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

C=CC[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/C22H16BrN3O4S/c1-2-11-25-12-13-26(14-25)20-19(21(27)17-5-3-4-6-18(17)22(20)28)24-31(29,30)16-9-7-15(23)8-10-16/h2-10,12-14H,1,11H2/p+1