2-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one

Systemtic Name: 2-[2-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one Openeye Name: 2-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 2-[2-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]ethyl]-6-(4-methylphenyl)-3-pyridazinone IUPAC Name: 2-[2-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one Traditional Name: 2-[2-[4-(4-acetylphenyl)sulfonylpiperazino]ethyl]-6-(p-tolyl)pyridazin-3-one Formula: C25H28N4O4S MolecularWeight: 480.57922

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)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C=C2)CCN3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)C(=O)C

InChI

InChI=1S/C25H28N4O4S/c1-19-3-5-22(6-4-19)24-11-12-25(31)29(26-24)18-15-27-13-16-28(17-14-27)34(32,33)23-9-7-21(8-10-23)20(2)30/h3-12H,13-18H2,1-2H3