N,4-dimethyl-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: N,4-dimethyl-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: N,4-dimethyl-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: N,4-dimethyl-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: N,4-dimethyl-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: N,4-dimethyl-N-[3-(4-methyl-1,4-diazepan-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C22H28N5O2S+ MolecularWeight: 426.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=NC3=CC=CC=C3N=C2N4CCC[NH+](CC4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C)C2=NC3=CC=CC=C3N=C2N4CCC[NH+](CC4)C

InChI

InChI=1S/C22H27N5O2S/c1-17-9-11-18(12-10-17)30(28,29)26(3)21-22(27-14-6-13-25(2)15-16-27)24-20-8-5-4-7-19(20)23-21/h4-5,7-12H,6,13-16H2,1-3H3/p+1