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

Systemtic Name: [1-[(3-methoxy-2-oxidanyl-phenyl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Openeye Name: [1-[(2-hydroxy-3-methoxy-phenyl)methyl]-3-piperidyl]-(2-methylsulfanylphenyl)methanone CAS Name: [1-[(2-hydroxy-3-methoxyphenyl)methyl]-3-piperidinyl]-[2-(methylthio)phenyl]methanone IUPAC Name: [1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-3-yl]-(2-methylsulfanylphenyl)methanone Traditional Name: [1-(2-hydroxy-3-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=CC(=C1O)CN2CCCC(C2)C(=O)C3=CC=CC=C3SC

Isomeric SMILES

COC1=CC=CC(=C1O)CN2CCCC(C2)C(=O)C3=CC=CC=C3SC

InChI

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