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

Systemtic Name: 2-methyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[4-[6-(4-methyl-1-piperidyl)pyridazin-3-yl]phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[4-[6-(4-methyl-1-piperidinyl)-3-pyridazinyl]phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[4-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-5-nitrobenzenesulfonamide Traditional Name: 2-methyl-N-[4-[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=C(C=C3)NS(=O)(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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