N-[3-[(1-propylpiperidin-1-ium-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: N-[3-[(1-propylpiperidin-1-ium-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide Openeye Name: N-[3-[(1-propylpiperidin-1-ium-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide CAS Name: N-[3-[(1-propyl-4-piperidin-1-iumyl)amino]-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N-[3-[(1-propylpiperidin-1-ium-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide Traditional Name: N-[3-[(1-propylpiperidin-1-ium-4-yl)amino]quinoxalin-2-yl]benzenesulfonamide Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCC(CC1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCC[NH+]1CCC(CC1)NC2=NC3=CC=CC=C3N=C2NS(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C22H27N5O2S/c1-2-14-27-15-12-17(13-16-27)23-21-22(25-20-11-7-6-10-19(20)24-21)26-30(28,29)18-8-4-3-5-9-18/h3-11,17H,2,12-16H2,1H3,(H,23,24)(H,25,26)/p+1