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

Systemtic Name: 2-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[3-[6-(4-methyl-1-piperidyl)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[3-[6-(4-methyl-1-piperidinyl)-3-pyridazinyl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[3-[6-(4-methylpiperidino)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide Formula: C23H25N5O4S MolecularWeight: 467.5407

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4S/c1-16-10-12-27(13-11-16)23-9-8-21(24-25-23)18-4-3-5-19(14-18)26-33(31,32)22-15-20(28(29)30)7-6-17(22)2/h3-9,14-16,26H,10-13H2,1-2H3