N-(5-chloranyl-2-methoxy-phenyl)-3-[1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-3-yl]propanamide

Systemtic Name: N-(5-chloranyl-2-methoxy-phenyl)-3-[1-(2-pyridin-2-ylsulfanylethanoyl)piperidin-3-yl]propanamide Openeye Name: N-(5-chloro-2-methoxy-phenyl)-3-[1-[2-(2-pyridylsulfanyl)acetyl]-3-piperidyl]propanamide CAS Name: N-(5-chloro-2-methoxyphenyl)-3-[1-[1-oxo-2-(2-pyridinylthio)ethyl]-3-piperidinyl]propanamide IUPAC Name: N-(5-chloro-2-methoxyphenyl)-3-[1-(2-pyridin-2-ylsulfanylacetyl)piperidin-3-yl]propanamide Traditional Name: N-(5-chloro-2-methoxy-phenyl)-3-[1-[2-(2-pyridylthio)acetyl]-3-piperidyl]propionamide Formula: C22H26ClN3O3S MolecularWeight: 447.97814

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)NC(=O)CCC2CCCN(C2)C(=O)CSC3=CC=CC=N3

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)NC(=O)CCC2CCCN(C2)C(=O)CSC3=CC=CC=N3

InChI

InChI=1S/C22H26ClN3O3S/c1-29-19-9-8-17(23)13-18(19)25-20(27)10-7-16-5-4-12-26(14-16)22(28)15-30-21-6-2-3-11-24-21/h2-3,6,8-9,11,13,16H,4-5,7,10,12,14-15H2,1H3,(H,25,27)