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

Systemtic Name: N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-nitro-benzenesulfonamide Openeye Name: N-[3-[6-(4-methyl-1-piperidyl)pyridazin-3-yl]phenyl]-4-nitro-benzenesulfonamide CAS Name: N-[3-[6-(4-methyl-1-piperidinyl)-3-pyridazinyl]phenyl]-4-nitrobenzenesulfonamide IUPAC Name: N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]-4-nitrobenzenesulfonamide Traditional Name: N-[3-[6-(4-methylpiperidino)pyridazin-3-yl]phenyl]-4-nitro-benzenesulfonamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4S/c1-16-11-13-26(14-12-16)22-10-9-21(23-24-22)17-3-2-4-18(15-17)25-32(30,31)20-7-5-19(6-8-20)27(28)29/h2-10,15-16,25H,11-14H2,1H3