(4-bromophenyl)sulfonyl-[3-[3-(phenylmethyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]azanide

Systemtic Name: (4-bromophenyl)sulfonyl-[3-[3-(phenylmethyl)pyridin-1-ium-1-yl]quinoxalin-2-yl]azanide Openeye Name: [3-(3-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-(4-bromophenyl)sulfonyl-azanide CAS Name: (4-bromophenyl)sulfonyl-[3-[3-(phenylmethyl)-1-pyridin-1-iumyl]-2-quinoxalinyl]azanide IUPAC Name: [3-(3-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-(4-bromophenyl)sulfonylazanide Traditional Name: [3-(3-benzylpyridin-1-ium-1-yl)quinoxalin-2-yl]-brosyl-azanide Formula: C26H19BrN4O2S MolecularWeight: 531.42366

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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=C3[N-]S(=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=C3[N-]S(=O)(=O)C5=CC=C(C=C5)Br

InChI

InChI=1S/C26H19BrN4O2S/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