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

Systemtic Name: 1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-chloranyl-phenyl]methyl]piperidin-3-ol Openeye Name: 1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-chloro-phenyl]methyl]piperidin-3-ol CAS Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-chlorophenyl]methyl]-3-piperidinol IUPAC Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-chlorophenyl]methyl]piperidin-3-ol Traditional Name: 1-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-chloro-benzyl]piperidin-3-ol Formula: C20H23BrClNO2S MolecularWeight: 456.82412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2Cl)CN3CCCC(C3)O

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2Cl)CN3CCCC(C3)O

InChI

InChI=1S/C20H23BrClNO2S/c1-25-19-8-7-16(21)10-15(19)13-26-20-14(4-2-6-18(20)22)11-23-9-3-5-17(24)12-23/h2,4,6-8,10,17,24H,3,5,9,11-13H2,1H3