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

Systemtic Name: 2-chloranyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-chloro-N-[3-[6-(4-methyl-1-piperidyl)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-chloro-N-[3-[6-(4-methyl-1-piperidinyl)-3-pyridazinyl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-chloro-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-chloro-N-[3-[6-(4-methylpiperidino)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide Formula: C22H22ClN5O4S MolecularWeight: 487.95918

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=NN=C(C=C2)C3=CC(=CC=C3)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1CCN(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/C22H22ClN5O4S/c1-15-9-11-27(12-10-15)22-8-7-20(24-25-22)16-3-2-4-17(13-16)26-33(31,32)21-14-18(28(29)30)5-6-19(21)23/h2-8,13-15,26H,9-12H2,1H3