[(3R)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [(3R)-1-[(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [(3R)-1-[(3-chloro-4-hydroxy-5-methoxy-phenyl)methyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [(3R)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]-3-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [(3R)-1-[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [(3R)-1-(3-chloro-4-hydroxy-5-methoxy-benzyl)-3-piperidyl]-[4-(methylthio)phenyl]methanone Formula: C21H24ClNO3S MolecularWeight: 405.93816

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CN2CCCC(C2)C(=O)C3=CC=C(C=C3)SC)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CN2CCC[C@H](C2)C(=O)C3=CC=C(C=C3)SC)Cl)O

InChI

InChI=1S/C21H24ClNO3S/c1-26-19-11-14(10-18(22)21(19)25)12-23-9-3-4-16(13-23)20(24)15-5-7-17(27-2)8-6-15/h5-8,10-11,16,25H,3-4,9,12-13H2,1-2H3/t16-/m1/s1