2-methyl-5-nitro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide

Systemtic Name: 2-methyl-5-nitro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide Openeye Name: 2-methyl-5-nitro-N-[3-[6-(1-piperidyl)pyridazin-3-yl]phenyl]benzenesulfonamide CAS Name: 2-methyl-5-nitro-N-[3-[6-(1-piperidinyl)-3-pyridazinyl]phenyl]benzenesulfonamide IUPAC Name: 2-methyl-5-nitro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide Traditional Name: 2-methyl-5-nitro-N-[3-(6-piperidinopyridazin-3-yl)phenyl]benzenesulfonamide Formula: C22H23N5O4S MolecularWeight: 453.51412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCC4

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=CC=CC(=C2)C3=NN=C(C=C3)N4CCCCC4

InChI

InChI=1S/C22H23N5O4S/c1-16-8-9-19(27(28)29)15-21(16)32(30,31)25-18-7-5-6-17(14-18)20-10-11-22(24-23-20)26-12-3-2-4-13-26/h5-11,14-15,25H,2-4,12-13H2,1H3