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

Systemtic Name: [1-[(4-methoxy-3-oxidanyl-phenyl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [1-[(3-hydroxy-4-methoxy-phenyl)methyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [1-[(3-hydroxy-4-methoxyphenyl)methyl]-3-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [1-[(3-hydroxy-4-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [1-(3-hydroxy-4-methoxy-benzyl)-3-piperidyl]-[4-(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=C(C=C3)SC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S/c1-25-20-10-5-15(12-19(20)23)13-22-11-3-4-17(14-22)21(24)16-6-8-18(26-2)9-7-16/h5-10,12,17,23H,3-4,11,13-14H2,1-2H3