4-methyl-3,5-dinitro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-3,5-dinitro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide Openeye Name: 4-methyl-3,5-dinitro-N-[3-[6-(1-piperidyl)pyridazin-3-yl]phenyl]benzenesulfonamide CAS Name: 4-methyl-3,5-dinitro-N-[3-[6-(1-piperidinyl)-3-pyridazinyl]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-3,5-dinitro-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzenesulfonamide Traditional Name: 4-methyl-3,5-dinitro-N-[3-(6-piperidinopyridazin-3-yl)phenyl]benzenesulfonamide Formula: C22H22N6O6S MolecularWeight: 498.51168

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C22H22N6O6S/c1-15-20(27(29)30)13-18(14-21(15)28(31)32)35(33,34)25-17-7-5-6-16(12-17)19-8-9-22(24-23-19)26-10-3-2-4-11-26/h5-9,12-14,25H,2-4,10-11H2,1H3