[(3S)-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(3-hydroxy-4-methoxy-phenyl)methyl]-3-piperidyl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-piperidinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(3-hydroxy-4-methoxy-benzyl)-3-piperidyl]-[2-(methylthio)phenyl]methanone Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN2CCCC(C2)C(=O)C3=CC=CC=C3SC)O

Isomeric SMILES

COC1=C(C=C(C=C1)CN2CCC[C@@H](C2)C(=O)C3=CC=CC=C3SC)O

InChI

InChI=1S/C21H25NO3S/c1-25-19-10-9-15(12-18(19)23)13-22-11-5-6-16(14-22)21(24)17-7-3-4-8-20(17)26-2/h3-4,7-10,12,16,23H,5-6,11,13-14H2,1-2H3/t16-/m0/s1