3-(4-methylsulfonylphenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole

Systemtic Name: 3-(4-methylsulfonylphenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole Openeye Name: 3-(4-methylsulfonylphenyl)-5-[1-(3-pyridylmethyl)-4-piperidyl]-1,2,4-oxadiazole CAS Name: 3-(4-methylsulfonylphenyl)-5-[1-(3-pyridinylmethyl)-4-piperidinyl]-1,2,4-oxadiazole IUPAC Name: 3-(4-methylsulfonylphenyl)-5-[1-(pyridin-3-ylmethyl)piperidin-4-yl]-1,2,4-oxadiazole Traditional Name: 3-(4-mesylphenyl)-5-[1-(3-pyridylmethyl)-4-piperidyl]-1,2,4-oxadiazole Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=NOC(=N2)C3CCN(CC3)CC4=CN=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=NOC(=N2)C3CCN(CC3)CC4=CN=CC=C4

InChI

InChI=1S/C20H22N4O3S/c1-28(25,26)18-6-4-16(5-7-18)19-22-20(27-23-19)17-8-11-24(12-9-17)14-15-3-2-10-21-13-15/h2-7,10,13,17H,8-9,11-12,14H2,1H3