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

Systemtic Name: N-[1,4-bis(oxidanylidene)-3-[3-(phenylmethyl)pyridin-1-ium-1-yl]naphthalen-2-yl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-(3-benzylpyridin-1-ium-1-yl)-1,4-dioxo-2-naphthyl]-4-nitro-benzenesulfonamide CAS Name: N-[1,4-dioxo-3-[3-(phenylmethyl)-1-pyridin-1-iumyl]-2-naphthalenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-(3-benzylpyridin-1-ium-1-yl)-1,4-dioxonaphthalen-2-yl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-(3-benzylpyridin-1-ium-1-yl)-1,4-diketo-2-naphthyl]-4-nitro-benzenesulfonamide Formula: C28H20N3O6S+ MolecularWeight: 526.5399

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C3=C(C(=O)C4=CC=CC=C4C3=O)NS(=O)(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H19N3O6S/c32-27-23-10-4-5-11-24(23)28(33)26(30-16-6-9-20(18-30)17-19-7-2-1-3-8-19)25(27)29-38(36,37)22-14-12-21(13-15-22)31(34)35/h1-16,18H,17H2/p+1