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

Systemtic Name: 4-methyl-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3,5-dinitro-benzenesulfonamide Openeye Name: 4-methyl-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3,5-dinitro-benzenesulfonamide CAS Name: 4-methyl-N-[4-[6-(4-methyl-1-piperazinyl)-3-pyridazinyl]phenyl]-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-3,5-dinitrobenzenesulfonamide Traditional Name: 4-methyl-N-[4-[6-(4-methylpiperazino)pyridazin-3-yl]phenyl]-3,5-dinitro-benzenesulfonamide Formula: C22H23N7O6S MolecularWeight: 513.52632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N7O6S/c1-15-20(28(30)31)13-18(14-21(15)29(32)33)36(34,35)25-17-5-3-16(4-6-17)19-7-8-22(24-23-19)27-11-9-26(2)10-12-27/h3-8,13-14,25H,9-12H2,1-2H3