[(3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone

Systemtic Name: [(3S)-1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [(3S)-1-[(2-hydroxy-5-methoxy-phenyl)methyl]-3-piperidyl]-(2-methylsulfanylphenyl)methanone CAS Name: [(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]-3-piperidinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [(3S)-1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [(3S)-1-(2-hydroxy-5-methoxy-benzyl)-3-piperidyl]-[2-(methylthio)phenyl]methanone Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S/c1-25-17-9-10-19(23)16(12-17)14-22-11-5-6-15(13-22)21(24)18-7-3-4-8-20(18)26-2/h3-4,7-10,12,15,23H,5-6,11,13-14H2,1-2H3/t15-/m0/s1