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

Systemtic Name: N-[3-isoquinolin-2-ium-2-yl-1,4-bis(oxidanylidene)naphthalen-2-yl]benzenesulfonamide Openeye Name: N-(3-isoquinolin-2-ium-2-yl-1,4-dioxo-2-naphthyl)benzenesulfonamide CAS Name: N-[3-(2-isoquinolin-2-iumyl)-1,4-dioxo-2-naphthalenyl]benzenesulfonamide IUPAC Name: N-(3-isoquinolin-2-ium-2-yl-1,4-dioxonaphthalen-2-yl)benzenesulfonamide Traditional Name: N-(3-isoquinolin-2-ium-2-yl-1,4-diketo-2-naphthyl)benzenesulfonamide Formula: C25H17N2O4S+ MolecularWeight: 441.47848

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=O)C3=CC=CC=C3C2=O)[N+]4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C25H16N2O4S/c28-24-20-12-6-7-13-21(20)25(29)23(27-15-14-17-8-4-5-9-18(17)16-27)22(24)26-32(30,31)19-10-2-1-3-11-19/h1-16H/p+1