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

Systemtic Name: N-[3-(3-butylimidazol-3-ium-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]benzenesulfonamide Openeye Name: N-[3-(3-butylimidazol-3-ium-1-yl)-1,4-dioxo-2-naphthyl]benzenesulfonamide CAS Name: N-[3-(3-butyl-1-imidazol-3-iumyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide IUPAC Name: N-[3-(3-butylimidazol-3-ium-1-yl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide Traditional Name: N-[3-(3-butylimidazol-3-ium-1-yl)-1,4-diketo-2-naphthyl]benzenesulfonamide Formula: C23H22N3O4S+ MolecularWeight: 436.50348

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H21N3O4S/c1-2-3-13-25-14-15-26(16-25)21-20(24-31(29,30)17-9-5-4-6-10-17)22(27)18-11-7-8-12-19(18)23(21)28/h4-12,14-16H,2-3,13H2,1H3/p+1