2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[3-(3-prop-2-enylimidazol-3-ium-1-yl)quinoxalin-2-yl]azanide

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[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]-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azanide CAS Name: 2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[3-(3-prop-2-enyl-1-imidazol-3-iumyl)-2-quinoxalinyl]azanide IUPAC Name: 2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl-[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]-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)azanide Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

C=CC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C=CC[N+]1=CN(C=C1)C2=NC3=CC=CC=C3N=C2[N-]S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H19N5O4S/c1-2-9-26-10-11-27(15-26)22-21(23-17-5-3-4-6-18(17)24-22)25-32(28,29)16-7-8-19-20(14-16)31-13-12-30-19/h2-8,10-11,14-15H,1,9,12-13H2