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

Systemtic Name: N-[3-(1H-imidazol-3-ium-3-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-[3-(1H-imidazol-3-ium-3-yl)-1,4-dioxo-2-naphthyl]-4-methyl-benzenesulfonamide CAS Name: N-[3-(1H-imidazol-3-ium-3-yl)-1,4-dioxo-2-naphthalenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[3-(1H-imidazol-3-ium-3-yl)-1,4-dioxonaphthalen-2-yl]-4-methylbenzenesulfonamide Traditional Name: N-[3-(1H-imidazol-3-ium-3-yl)-1,4-diketo-2-naphthyl]-4-methyl-benzenesulfonamide Formula: C20H16N3O4S+ MolecularWeight: 394.42374

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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)[N+]4=CNC=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CNC=C4

InChI

InChI=1S/C20H15N3O4S/c1-13-6-8-14(9-7-13)28(26,27)22-17-18(23-11-10-21-12-23)20(25)16-5-3-2-4-15(16)19(17)24/h2-12H,1H3,(H,22,25)/p+1