N-(3-chloranyl-4-methoxy-phenyl)-3-[1-(2-phenylsulfanylethanoyl)piperidin-3-yl]propanamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-3-[1-(2-phenylsulfanylethanoyl)piperidin-3-yl]propanamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-3-[1-(2-phenylsulfanylacetyl)-3-piperidyl]propanamide CAS Name: N-(3-chloro-4-methoxyphenyl)-3-[1-[1-oxo-2-(phenylthio)ethyl]-3-piperidinyl]propanamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-3-[1-(2-phenylsulfanylacetyl)piperidin-3-yl]propanamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-3-[1-[2-(phenylthio)acetyl]-3-piperidyl]propionamide Formula: C23H27ClN2O3S MolecularWeight: 446.99008

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CCC2CCCN(C2)C(=O)CSC3=CC=CC=C3)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CCC2CCCN(C2)C(=O)CSC3=CC=CC=C3)Cl

InChI

InChI=1S/C23H27ClN2O3S/c1-29-21-11-10-18(14-20(21)24)25-22(27)12-9-17-6-5-13-26(15-17)23(28)16-30-19-7-3-2-4-8-19/h2-4,7-8,10-11,14,17H,5-6,9,12-13,15-16H2,1H3,(H,25,27)