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

Systemtic Name: N-[3-(3-methylpyridin-1-ium-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-(3-methylpyridin-1-ium-1-yl)-1,4-dioxo-2-naphthyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-(3-methyl-1-pyridin-1-iumyl)-1,4-dioxo-2-naphthalenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(3-methylpyridin-1-ium-1-yl)-1,4-dioxonaphthalen-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[1,4-diketo-3-(3-methylpyridin-1-ium-1-yl)-2-naphthyl]-4-nitro-benzenesulfonamide Formula: C22H16N3O6S+ MolecularWeight: 450.44394

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)C2=C(C(=O)C3=CC=CC=C3C2=O)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H15N3O6S/c1-14-5-4-12-24(13-14)20-19(21(26)17-6-2-3-7-18(17)22(20)27)23-32(30,31)16-10-8-15(9-11-16)25(28)29/h2-13H,1H3/p+1