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

Systemtic Name: N-[3-(2-morpholin-4-ium-4-ylethylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Openeye Name: N-[3-(2-morpholin-4-ium-4-ylethylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide CAS Name: N-[3-[2-(4-morpholin-4-iumyl)ethylamino]-2-quinoxalinyl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide IUPAC Name: N-[3-(2-morpholin-4-ium-4-ylethylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide Traditional Name: N-[3-(2-morpholin-4-ium-4-ylethylamino)quinoxalin-2-yl]-2,3-dihydro-1,4-benzodioxin-6-sulfonamide Formula: C22H26N5O5S+ MolecularWeight: 472.53734

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

C1COCC[NH+]1CCNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C22H25N5O5S/c28-33(29,16-5-6-19-20(15-16)32-14-13-31-19)26-22-21(23-7-8-27-9-11-30-12-10-27)24-17-3-1-2-4-18(17)25-22/h1-6,15H,7-14H2,(H,23,24)(H,25,26)/p+1