N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-3-yl]propanamide

Systemtic Name: N-(4-fluoranyl-2-methyl-phenyl)-3-[(3R)-1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-3-yl]propanamide Openeye Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-[2-(2-pyridylsulfanyl)acetyl]-3-piperidyl]propanamide CAS Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-[1-oxo-2-(2-pyridinylthio)ethyl]-3-piperidinyl]propanamide IUPAC Name: N-(4-fluoro-2-methylphenyl)-3-[(3R)-1-(2-pyridin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide Traditional Name: N-(4-fluoro-2-methyl-phenyl)-3-[(3R)-1-[2-(2-pyridylthio)acetyl]-3-piperidyl]propionamide Formula: C22H26FN3O2S MolecularWeight: 415.524143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)F)NC(=O)CCC2CCCN(C2)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

CC1=C(C=CC(=C1)F)NC(=O)CC[C@H]2CCCN(C2)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C22H26FN3O2S/c1-16-13-18(23)8-9-19(16)25-20(27)10-7-17-5-4-12-26(14-17)22(28)15-29-21-6-2-3-11-24-21/h2-3,6,8-9,11,13,17H,4-5,7,10,12,14-15H2,1H3,(H,25,27)/t17-/m1/s1