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

Systemtic Name: N-[3-[3-(3-methylbutyl)imidazol-3-ium-1-yl]-1,4-bis(oxidanylidene)naphthalen-2-yl]benzenesulfonamide Openeye Name: N-[3-(3-isopentylimidazol-3-ium-1-yl)-1,4-dioxo-2-naphthyl]benzenesulfonamide CAS Name: N-[3-[3-(3-methylbutyl)-1-imidazol-3-iumyl]-1,4-dioxo-2-naphthalenyl]benzenesulfonamide IUPAC Name: N-[3-[3-(3-methylbutyl)imidazol-3-ium-1-yl]-1,4-dioxonaphthalen-2-yl]benzenesulfonamide Traditional Name: N-[3-(3-isoamylimidazol-3-ium-1-yl)-1,4-diketo-2-naphthyl]benzenesulfonamide Formula: C24H24N3O4S+ MolecularWeight: 450.53006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O4S/c1-17(2)12-13-26-14-15-27(16-26)22-21(25-32(30,31)18-8-4-3-5-9-18)23(28)19-10-6-7-11-20(19)24(22)29/h3-11,14-17H,12-13H2,1-2H3/p+1