3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide

Systemtic Name: 3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide Openeye Name: 3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide CAS Name: 3-methyl-N-[4-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridazinyl]phenyl]benzenesulfonamide IUPAC Name: 3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide Traditional Name: 3-methyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzenesulfonamide Formula: C22H26N5O2S+ MolecularWeight: 424.53914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H25N5O2S/c1-17-4-3-5-20(16-17)30(28,29)25-19-8-6-18(7-9-19)21-10-11-22(24-23-21)27-14-12-26(2)13-15-27/h3-11,16,25H,12-15H2,1-2H3/p+1