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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCNC(=O)CCC(CSCCO)OC1=NC=CC(=C1)CN2CCCCC2

Isomeric SMILES

C/C=C/CNC(=O)CCC(CSCCO)OC1=NC=CC(=C1)CN2CCCCC2

InChI

InChI=1S/C22H35N3O3S/c1-2-3-10-23-21(27)8-7-20(18-29-15-14-26)28-22-16-19(9-11-24-22)17-25-12-5-4-6-13-25/h2-3,9,11,16,20,26H,4-8,10,12-15,17-18H2,1H3,(H,23,27)/b3-2+