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

Systemtic Name: N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-[6-(4-methyl-1-piperazinyl)-3-pyridazinyl]phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-[6-(4-methylpiperazino)pyridazin-3-yl]phenyl]-4-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(=CC=C3)NS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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