4-ethoxy-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide

Systemtic Name: 4-ethoxy-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Openeye Name: 4-ethoxy-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide CAS Name: 4-ethoxy-N-[3-(4-methyl-1-piperazin-4-iumyl)-2-quinoxalinyl]benzenesulfonamide IUPAC Name: 4-ethoxy-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Traditional Name: 4-ethoxy-N-[3-(4-methylpiperazin-4-ium-1-yl)quinoxalin-2-yl]benzenesulfonamide Formula: C21H26N5O3S+ MolecularWeight: 428.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)NC2=NC3=CC=CC=C3N=C2N4CC[NH+](CC4)C

InChI

InChI=1S/C21H25N5O3S/c1-3-29-16-8-10-17(11-9-16)30(27,28)24-20-21(26-14-12-25(2)13-15-26)23-19-7-5-4-6-18(19)22-20/h4-11H,3,12-15H2,1-2H3,(H,22,24)/p+1