2-[(3,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one

Systemtic Name: 2-[(3,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one Openeye Name: 2-[(3,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylsulfonyl-4-piperidyl)-1,2,4-triazol-3-one CAS Name: 2-[(3,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylsulfonyl-4-piperidinyl)-1,2,4-triazol-3-one IUPAC Name: 2-[(3,5-dimethoxyphenyl)methyl]-4-methyl-5-(1-methylsulfonylpiperidin-4-yl)-1,2,4-triazol-3-one Traditional Name: 2-(3,5-dimethoxybenzyl)-5-(1-mesyl-4-piperidyl)-4-methyl-1,2,4-triazol-3-one Formula: C18H26N4O5S MolecularWeight: 410.48784

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=O)CC2=CC(=CC(=C2)OC)OC)C3CCN(CC3)S(=O)(=O)C

Isomeric SMILES

CN1C(=NN(C1=O)CC2=CC(=CC(=C2)OC)OC)C3CCN(CC3)S(=O)(=O)C

InChI

InChI=1S/C18H26N4O5S/c1-20-17(14-5-7-21(8-6-14)28(4,24)25)19-22(18(20)23)12-13-9-15(26-2)11-16(10-13)27-3/h9-11,14H,5-8,12H2,1-4H3