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

Systemtic Name: N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[4-[6-(4-methyl-1-piperazinyl)-3-pyridazinyl]phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-[6-(4-methylpiperazino)pyridazin-3-yl]phenyl]-2-nitro-benzenesulfonamide Formula: C21H22N6O4S MolecularWeight: 454.50218

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=NN=C(C=C2)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O4S/c1-25-12-14-26(15-13-25)21-11-10-18(22-23-21)16-6-8-17(9-7-16)24-32(30,31)20-5-3-2-4-19(20)27(28)29/h2-11,24H,12-15H2,1H3