2-(4-methoxyphenyl)-N-[[(3S)-1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-3-yl]methyl]ethanamide

Systemtic Name: 2-(4-methoxyphenyl)-N-[[(3S)-1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-3-yl]methyl]ethanamide Openeye Name: 2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(2-pyridylsulfanyl)acetyl]-3-piperidyl]methyl]acetamide CAS Name: 2-(4-methoxyphenyl)-N-[[(3S)-1-[1-oxo-2-(2-pyridinylthio)ethyl]-3-piperidinyl]methyl]acetamide IUPAC Name: 2-(4-methoxyphenyl)-N-[[(3S)-1-(2-pyridin-2-ylsulfanylacetyl)piperidin-3-yl]methyl]acetamide Traditional Name: 2-(4-methoxyphenyl)-N-[[(3S)-1-[2-(2-pyridylthio)acetyl]-3-piperidyl]methyl]acetamide Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC(=O)NCC2CCCN(C2)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

COC1=CC=C(C=C1)CC(=O)NC[C@@H]2CCCN(C2)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C22H27N3O3S/c1-28-19-9-7-17(8-10-19)13-20(26)24-14-18-5-4-12-25(15-18)22(27)16-29-21-6-2-3-11-23-21/h2-3,6-11,18H,4-5,12-16H2,1H3,(H,24,26)/t18-/m0/s1