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

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

Isomeric SMILES

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

InChI

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