2-[2-[4-(4-methyl-3,5-dinitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one

Systemtic Name: 2-[2-[4-(4-methyl-3,5-dinitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one Openeye Name: 2-[2-[4-(4-methyl-3,5-dinitro-phenyl)sulfonylpiperazin-1-yl]ethyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 2-[2-[4-(4-methyl-3,5-dinitrophenyl)sulfonyl-1-piperazinyl]ethyl]-6-(4-methylphenyl)-3-pyridazinone IUPAC Name: 2-[2-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one Traditional Name: 2-[2-[4-(4-methyl-3,5-dinitro-phenyl)sulfonylpiperazino]ethyl]-6-(p-tolyl)pyridazin-3-one Formula: C24H26N6O7S MolecularWeight: 542.56424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC(=C(C(=C4)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C24H26N6O7S/c1-17-3-5-19(6-4-17)21-7-8-24(31)28(25-21)14-11-26-9-12-27(13-10-26)38(36,37)20-15-22(29(32)33)18(2)23(16-20)30(34)35/h3-8,15-16H,9-14H2,1-2H3