6-(3,4-dimethoxyphenyl)-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridazin-3-one

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridazin-3-one Openeye Name: 6-(3,4-dimethoxyphenyl)-2-[(1-methylsulfonyl-4-piperidyl)methyl]pyridazin-3-one CAS Name: 6-(3,4-dimethoxyphenyl)-2-[(1-methylsulfonyl-4-piperidinyl)methyl]-3-pyridazinone IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-[(1-methylsulfonylpiperidin-4-yl)methyl]pyridazin-3-one Traditional Name: 6-(3,4-dimethoxyphenyl)-2-[(1-mesyl-4-piperidyl)methyl]pyridazin-3-one Formula: C19H25N3O5S MolecularWeight: 407.4839

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3CCN(CC3)S(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C(=O)C=C2)CC3CCN(CC3)S(=O)(=O)C)OC

InChI

InChI=1S/C19H25N3O5S/c1-26-17-6-4-15(12-18(17)27-2)16-5-7-19(23)22(20-16)13-14-8-10-21(11-9-14)28(3,24)25/h4-7,12,14H,8-11,13H2,1-3H3