[1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone

Systemtic Name: [1-[(5-methoxy-2-oxidanyl-phenyl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Openeye Name: [1-[(2-hydroxy-5-methoxy-phenyl)methyl]-3-piperidyl]-(4-methylsulfanylphenyl)methanone CAS Name: [1-[(2-hydroxy-5-methoxyphenyl)methyl]-3-piperidinyl]-[4-(methylthio)phenyl]methanone IUPAC Name: [1-[(2-hydroxy-5-methoxyphenyl)methyl]piperidin-3-yl]-(4-methylsulfanylphenyl)methanone Traditional Name: [1-(2-hydroxy-5-methoxy-benzyl)-3-piperidyl]-[4-(methylthio)phenyl]methanone Formula: C21H25NO3S MolecularWeight: 371.4931

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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