3-[[4-[2-(5-methylsulfonyl-1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one

Systemtic Name: 3-[[4-[2-(5-methylsulfonyl-1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one Openeye Name: 3-[[4-[2-(5-methylsulfonyl-1,3-benzodioxol-4-yl)ethyl]-1-piperidyl]methyl]-1H-pyridin-2-one CAS Name: 3-[[4-[2-(5-methylsulfonyl-1,3-benzodioxol-4-yl)ethyl]-1-piperidinyl]methyl]-1H-pyridin-2-one IUPAC Name: 3-[[4-[2-(5-methylsulfonyl-1,3-benzodioxol-4-yl)ethyl]piperidin-1-yl]methyl]-1H-pyridin-2-one Traditional Name: 3-[[4-[2-(5-mesyl-1,3-benzodioxol-4-yl)ethyl]piperidino]methyl]-2-pyridone Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C2=C(C=C1)OCO2)CCC3CCN(CC3)CC4=CC=CNC4=O

Isomeric SMILES

CS(=O)(=O)C1=C(C2=C(C=C1)OCO2)CCC3CCN(CC3)CC4=CC=CNC4=O

InChI

InChI=1S/C21H26N2O5S/c1-29(25,26)19-7-6-18-20(28-14-27-18)17(19)5-4-15-8-11-23(12-9-15)13-16-3-2-10-22-21(16)24/h2-3,6-7,10,15H,4-5,8-9,11-14H2,1H3,(H,22,24)