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

Systemtic Name: 2-[2-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one Openeye Name: 2-[2-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(p-tolyl)pyridazin-3-one CAS Name: 2-[2-[4-(3,5-dimethylphenyl)sulfonyl-1-piperazinyl]ethyl]-6-(4-methylphenyl)-3-pyridazinone IUPAC Name: 2-[2-[4-(3,5-dimethylphenyl)sulfonylpiperazin-1-yl]ethyl]-6-(4-methylphenyl)pyridazin-3-one Traditional Name: 2-[2-[4-(3,5-dimethylphenyl)sulfonylpiperazino]ethyl]-6-(p-tolyl)pyridazin-3-one Formula: C25H30N4O3S MolecularWeight: 466.5957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N4O3S/c1-19-4-6-22(7-5-19)24-8-9-25(30)29(26-24)15-12-27-10-13-28(14-11-27)33(31,32)23-17-20(2)16-21(3)18-23/h4-9,16-18H,10-15H2,1-3H3