N-[1,4-bis(oxidanylidene)-3-pyridin-1-ium-1-yl-phenanthren-2-yl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[1,4-bis(oxidanylidene)-3-pyridin-1-ium-1-yl-phenanthren-2-yl]-4-methyl-benzenesulfonamide Openeye Name: N-(1,4-dioxo-3-pyridin-1-ium-1-yl-2-phenanthryl)-4-methyl-benzenesulfonamide CAS Name: N-[1,4-dioxo-3-(1-pyridin-1-iumyl)-2-phenanthrenyl]-4-methylbenzenesulfonamide IUPAC Name: N-(1,4-dioxo-3-pyridin-1-ium-1-ylphenanthren-2-yl)-4-methylbenzenesulfonamide Traditional Name: N-(1,4-diketo-3-pyridin-1-ium-1-yl-2-phenanthryl)-4-methyl-benzenesulfonamide Formula: C26H19N2O4S+ MolecularWeight: 455.50506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=C(C2=O)C=CC4=CC=CC=C43)[N+]5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=C(C2=O)C=CC4=CC=CC=C43)[N+]5=CC=CC=C5

InChI

InChI=1S/C26H18N2O4S/c1-17-9-12-19(13-10-17)33(31,32)27-23-24(28-15-5-2-6-16-28)26(30)22-20-8-4-3-7-18(20)11-14-21(22)25(23)29/h2-16H,1H3/p+1