[1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-chloranyl-phenyl]methyl]piperidin-2-yl]methanol

Systemtic Name: [1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-chloranyl-phenyl]methyl]piperidin-2-yl]methanol Openeye Name: [1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-chloro-phenyl]methyl]-2-piperidyl]methanol CAS Name: [1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-chlorophenyl]methyl]-2-piperidinyl]methanol IUPAC Name: [1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-chlorophenyl]methyl]piperidin-2-yl]methanol Traditional Name: [1-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-chloro-benzyl]-2-piperidyl]methanol Formula: C21H25BrClNO2S MolecularWeight: 470.8507

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2Cl)CN3CCCCC3CO

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2Cl)CN3CCCCC3CO

InChI

InChI=1S/C21H25BrClNO2S/c1-26-20-9-8-17(22)11-16(20)14-27-21-15(5-4-7-19(21)23)12-24-10-3-2-6-18(24)13-25/h4-5,7-9,11,18,25H,2-3,6,10,12-14H2,1H3