5-(2-hydroxyethylsulfanyl)-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]pentanamide

Systemtic Name: 5-(2-hydroxyethylsulfanyl)-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]pentanamide Openeye Name: 5-(2-hydroxyethylsulfanyl)-N-[(E)-4-[[4-(1-piperidylmethyl)-2-pyridyl]oxy]but-2-enyl]pentanamide CAS Name: 5-(2-hydroxyethylthio)-N-[(E)-4-[[4-(1-piperidinylmethyl)-2-pyridinyl]oxy]but-2-enyl]pentanamide IUPAC Name: 5-(2-hydroxyethylsulfanyl)-N-[(E)-4-[4-(piperidin-1-ylmethyl)pyridin-2-yl]oxybut-2-enyl]pentanamide Traditional Name: 5-(2-hydroxyethylthio)-N-[(E)-4-[[4-(piperidinomethyl)-2-pyridyl]oxy]but-2-enyl]valeramide Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC(=NC=C2)OCC=CCNC(=O)CCCCSCCO

Isomeric SMILES

C1CCN(CC1)CC2=CC(=NC=C2)OC/C=C/CNC(=O)CCCCSCCO

InChI

InChI=1S/C22H35N3O3S/c26-14-17-29-16-7-2-8-21(27)23-10-3-6-15-28-22-18-20(9-11-24-22)19-25-12-4-1-5-13-25/h3,6,9,11,18,26H,1-2,4-5,7-8,10,12-17,19H2,(H,23,27)/b6-3+