2-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide

Systemtic Name: 2-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[3-[6-(4-methyl-1-piperazinyl)-3-pyridazinyl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[3-[6-(4-methylpiperazino)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide Formula: C22H24N6O4S MolecularWeight: 468.52876

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCN(CC4)C

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCN(CC4)C

InChI

InChI=1S/C22H24N6O4S/c1-16-6-7-19(28(29)30)15-21(16)33(31,32)25-18-5-3-4-17(14-18)20-8-9-22(24-23-20)27-12-10-26(2)11-13-27/h3-9,14-15,25H,10-13H2,1-2H3