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

Systemtic Name: N-[1,4-bis(oxidanylidene)-3-pyridin-1-ium-1-yl-naphthalen-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-(1,4-dioxo-3-pyridin-1-ium-1-yl-2-naphthyl)-4-nitro-benzenesulfonamide CAS Name: N-[1,4-dioxo-3-(1-pyridin-1-iumyl)-2-naphthalenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-(1,4-dioxo-3-pyridin-1-ium-1-ylnaphthalen-2-yl)-4-nitrobenzenesulfonamide Traditional Name: N-(1,4-diketo-3-pyridin-1-ium-1-yl-2-naphthyl)-4-nitro-benzenesulfonamide Formula: C21H14N3O6S+ MolecularWeight: 436.41736

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H13N3O6S/c25-20-16-6-2-3-7-17(16)21(26)19(23-12-4-1-5-13-23)18(20)22-31(29,30)15-10-8-14(9-11-15)24(27)28/h1-13H/p+1