N-[3-(3-morpholin-4-ium-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: N-[3-(3-morpholin-4-ium-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-(3-morpholin-4-ium-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-[3-(4-morpholin-4-iumyl)propylamino]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-(3-morpholin-4-ium-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-(3-morpholin-4-ium-4-ylpropylamino)quinoxalin-2-yl]benzenesulfonamide Formula: C21H26N5O3S+ MolecularWeight: 428.52784

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCCNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCCNC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3S/c27-30(28,17-7-2-1-3-8-17)25-21-20(23-18-9-4-5-10-19(18)24-21)22-11-6-12-26-13-15-29-16-14-26/h1-5,7-10H,6,11-16H2,(H,22,23)(H,24,25)/p+1