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

Systemtic Name: 1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]-3-chloranyl-phenyl]methyl]piperidine Openeye Name: 1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]-3-chloro-phenyl]methyl]piperidine CAS Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]-3-chlorophenyl]methyl]piperidine IUPAC Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]-3-chlorophenyl]methyl]piperidine Traditional Name: 1-[2-[(5-bromo-2-methoxy-benzyl)thio]-3-chloro-benzyl]piperidine Formula: C20H23BrClNOS MolecularWeight: 440.82472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2Cl)CN3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=C(C=CC=C2Cl)CN3CCCCC3

InChI

InChI=1S/C20H23BrClNOS/c1-24-19-9-8-17(21)12-16(19)14-25-20-15(6-5-7-18(20)22)13-23-10-3-2-4-11-23/h5-9,12H,2-4,10-11,13-14H2,1H3