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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-[(1-ethylsulfonylpiperidin-4-yl)methyl]pyridazin-3-one Openeye Name: 6-(3,4-dimethoxyphenyl)-2-[(1-ethylsulfonyl-4-piperidyl)methyl]pyridazin-3-one CAS Name: 6-(3,4-dimethoxyphenyl)-2-[(1-ethylsulfonyl-4-piperidinyl)methyl]-3-pyridazinone IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-[(1-ethylsulfonylpiperidin-4-yl)methyl]pyridazin-3-one Traditional Name: 6-(3,4-dimethoxyphenyl)-2-[(1-esyl-4-piperidyl)methyl]pyridazin-3-one Formula: C20H27N3O5S MolecularWeight: 421.51048

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)CN2C(=O)C=CC(=N2)C3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C20H27N3O5S/c1-4-29(25,26)22-11-9-15(10-12-22)14-23-20(24)8-6-17(21-23)16-5-7-18(27-2)19(13-16)28-3/h5-8,13,15H,4,9-12,14H2,1-3H3