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

Systemtic Name: 4-bromanyl-N-[3-(3-methylpyridin-1-ium-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-yl]benzenesulfonamide Openeye Name: 4-bromo-N-[3-(3-methylpyridin-1-ium-1-yl)-1,4-dioxo-2-naphthyl]benzenesulfonamide CAS Name: 4-bromo-N-[3-(3-methyl-1-pyridin-1-iumyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[3-(3-methylpyridin-1-ium-1-yl)-1,4-dioxonaphthalen-2-yl]benzenesulfonamide Traditional Name: 4-bromo-N-[1,4-diketo-3-(3-methylpyridin-1-ium-1-yl)-2-naphthyl]benzenesulfonamide Formula: C22H16BrN2O4S+ MolecularWeight: 484.34244

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C22H15BrN2O4S/c1-14-5-4-12-25(13-14)20-19(21(26)17-6-2-3-7-18(17)22(20)27)24-30(28,29)16-10-8-15(23)9-11-16/h2-13H,1H3/p+1