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

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

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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)Br

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)Br

InChI

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