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

Systemtic Name: 2-chloranyl-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-[3-[6-(4-methyl-1-piperazinyl)-3-pyridazinyl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-[3-[6-(4-methylpiperazino)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide Formula: C21H21ClN6O4S MolecularWeight: 488.94724

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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=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN6O4S/c1-26-9-11-27(12-10-26)21-8-7-19(23-24-21)15-3-2-4-16(13-15)25-33(31,32)20-14-17(28(29)30)5-6-18(20)22/h2-8,13-14,25H,9-12H2,1H3