N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

Systemtic Name: N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C21H24N5O4S+ MolecularWeight: 442.51136

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C[NH+]1CCN(CC1)C2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C21H23N5O4S/c1-25-8-10-26(11-9-25)21-20(22-16-4-2-3-5-17(16)23-21)24-31(27,28)15-6-7-18-19(14-15)30-13-12-29-18/h2-7,14H,8-13H2,1H3,(H,22,24)/p+1