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

Systemtic Name: 4-methyl-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]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[3-[3-(3-methylbutyl)-1-imidazol-3-iumyl]-1,4-dioxo-2-naphthalenyl]benzenesulfonamide IUPAC Name: 4-methyl-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]-4-methyl-benzenesulfonamide Formula: C25H26N3O4S+ MolecularWeight: 464.55664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4C=C[N+](=C4)CCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)N4C=C[N+](=C4)CCC(C)C

InChI

InChI=1S/C25H25N3O4S/c1-17(2)12-13-27-14-15-28(16-27)23-22(24(29)20-6-4-5-7-21(20)25(23)30)26-33(31,32)19-10-8-18(3)9-11-19/h4-11,14-17H,12-13H2,1-3H3/p+1