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

Systemtic Name: N-[1,4-bis(oxidanylidene)-3-(3-pentylimidazol-3-ium-1-yl)naphthalen-2-yl]-4-bromanyl-benzenesulfonamide Openeye Name: 4-bromo-N-[1,4-dioxo-3-(3-pentylimidazol-3-ium-1-yl)-2-naphthyl]benzenesulfonamide CAS Name: 4-bromo-N-[1,4-dioxo-3-(3-pentyl-1-imidazol-3-iumyl)-2-naphthalenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[1,4-dioxo-3-(3-pentylimidazol-3-ium-1-yl)naphthalen-2-yl]benzenesulfonamide Traditional Name: N-[3-(3-amylimidazol-3-ium-1-yl)-1,4-diketo-2-naphthyl]-4-bromo-benzenesulfonamide Formula: C24H23BrN3O4S+ MolecularWeight: 529.42612

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC[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

CCCCC[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/C24H22BrN3O4S/c1-2-3-6-13-27-14-15-28(16-27)22-21(23(29)19-7-4-5-8-20(19)24(22)30)26-33(31,32)18-11-9-17(25)10-12-18/h4-5,7-12,14-16H,2-3,6,13H2,1H3/p+1