4-bromanyl-N-[3-[3-(phenylmethyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-bromanyl-N-[3-[3-(phenylmethyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-(3-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-4-bromo-benzenesulfonamide CAS Name: 4-bromo-N-[3-[3-(phenylmethyl)-1-pyridin-1-iumyl]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-(3-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-4-bromobenzenesulfonamide Traditional Name: N-[3-(3-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-4-bromo-benzenesulfonamide Formula: C26H20BrN4O2S+ MolecularWeight: 532.4316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Br

Isomeric SMILES

C1=CC=C(C=C1)CC2=C[N+](=CC=C2)C3=NC4=CC=CC=C4N=C3NS(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H20BrN4O2S/c27-21-12-14-22(15-13-21)34(32,33)30-25-26(29-24-11-5-4-10-23(24)28-25)31-16-6-9-20(18-31)17-19-7-2-1-3-8-19/h1-16,18H,17H2,(H,28,30)/q+1