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

Systemtic Name: N-[1,4-bis(oxidanylidene)-3-[4-(phenylmethyl)pyridin-1-ium-1-yl]naphthalen-2-yl]-4-bromanyl-benzenesulfonamide Openeye Name: N-[3-(4-benzylpyridin-1-ium-1-yl)-1,4-dioxo-2-naphthyl]-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[1,4-dioxo-3-[4-(phenylmethyl)-1-pyridin-1-iumyl]-2-naphthalenyl]benzenesulfonamide IUPAC Name: N-[3-(4-benzylpyridin-1-ium-1-yl)-1,4-dioxonaphthalen-2-yl]-4-bromobenzenesulfonamide Traditional Name: N-[3-(4-benzylpyridin-1-ium-1-yl)-1,4-diketo-2-naphthyl]-4-bromo-benzenesulfonamide Formula: C28H20BrN2O4S+ MolecularWeight: 560.4384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H19BrN2O4S/c29-21-10-12-22(13-11-21)36(34,35)30-25-26(28(33)24-9-5-4-8-23(24)27(25)32)31-16-14-20(15-17-31)18-19-6-2-1-3-7-19/h1-17H,18H2/p+1