(4-methylphenyl)sulfonyl-[3-(3-propan-2-ylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide

Systemtic Name: (4-methylphenyl)sulfonyl-[3-(3-propan-2-ylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Openeye Name: [3-(3-isopropylimidazol-3-ium-1-yl)quinoxalin-2-yl]-(p-tolylsulfonyl)azanide CAS Name: (4-methylphenyl)sulfonyl-[3-(3-propan-2-yl-1-imidazol-3-iumyl)-2-quinoxalinyl]azanide IUPAC Name: (4-methylphenyl)sulfonyl-[3-(3-propan-2-ylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide Traditional Name: [3-(3-isopropylimidazol-3-ium-1-yl)quinoxalin-2-yl]-tosyl-azanide Formula: C21H21N5O2S MolecularWeight: 407.48874

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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)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O2S/c1-15(2)25-12-13-26(14-25)21-20(22-18-6-4-5-7-19(18)23-21)24-29(27,28)17-10-8-16(3)9-11-17/h4-15H,1-3H3