(4-methylphenyl)sulfonyl-[3-[3-(phenylmethyl)imidazol-3-ium-1-yl]quinoxalin-2-yl]azanide

Systemtic Name: (4-methylphenyl)sulfonyl-[3-[3-(phenylmethyl)imidazol-3-ium-1-yl]quinoxalin-2-yl]azanide Openeye Name: [3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]-(p-tolylsulfonyl)azanide CAS Name: (4-methylphenyl)sulfonyl-[3-[3-(phenylmethyl)-1-imidazol-3-iumyl]-2-quinoxalinyl]azanide IUPAC Name: [3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]-(4-methylphenyl)sulfonylazanide Traditional Name: [3-(3-benzylimidazol-3-ium-1-yl)quinoxalin-2-yl]-tosyl-azanide Formula: C25H21N5O2S MolecularWeight: 455.53154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2N4C=C[N+](=C4)CC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[N-]C2=NC3=CC=CC=C3N=C2N4C=C[N+](=C4)CC5=CC=CC=C5

InChI

InChI=1S/C25H21N5O2S/c1-19-11-13-21(14-12-19)33(31,32)28-24-25(27-23-10-6-5-9-22(23)26-24)30-16-15-29(18-30)17-20-7-3-2-4-8-20/h2-16,18H,17H2,1H3