(2,5-dimethylphenyl)sulfonyl-[3-(3-prop-2-enylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide

Systemtic Name: (2,5-dimethylphenyl)sulfonyl-[3-(3-prop-2-enylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Openeye Name: [3-(3-allylimidazol-3-ium-1-yl)quinoxalin-2-yl]-(2,5-dimethylphenyl)sulfonyl-azanide CAS Name: (2,5-dimethylphenyl)sulfonyl-[3-(3-prop-2-enyl-1-imidazol-3-iumyl)-2-quinoxalinyl]azanide IUPAC Name: (2,5-dimethylphenyl)sulfonyl-[3-(3-prop-2-enylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Traditional Name: [3-(3-allylimidazol-3-ium-1-yl)quinoxalin-2-yl]-(2,5-dimethylphenyl)sulfonyl-azanide Formula: C22H21N5O2S MolecularWeight: 419.49944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21N5O2S/c1-4-11-26-12-13-27(15-26)22-21(23-18-7-5-6-8-19(18)24-22)25-30(28,29)20-14-16(2)9-10-17(20)3/h4-10,12-15H,1,11H2,2-3H3