2-(2-hydroxyethylsulfanyl)-7-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-heptanamide

Systemtic Name: 2-(2-hydroxyethylsulfanyl)-7-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxy-heptanamide Openeye Name: 2-(2-hydroxyethylsulfanyl)-7-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]heptanamide CAS Name: 2-(2-hydroxyethylthio)-7-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]heptanamide IUPAC Name: 2-(2-hydroxyethylsulfanyl)-7-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxyheptanamide Traditional Name: 2-(2-hydroxyethylthio)-7-[[4-(piperidinomethyl)-2-pyridyl]oxy]enanthamide Formula: C20H33N3O3S MolecularWeight: 395.55932

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=NC=C2)OCCCCCC(C(=O)N)SCCO

Isomeric SMILES

C1CCN(CC1)CC2=CC(=NC=C2)OCCCCCC(C(=O)N)SCCO

InChI

InChI=1S/C20H33N3O3S/c21-20(25)18(27-14-12-24)7-3-1-6-13-26-19-15-17(8-9-22-19)16-23-10-4-2-5-11-23/h8-9,15,18,24H,1-7,10-14,16H2,(H2,21,25)