1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-4-piperidin-1-yl-piperidine

Systemtic Name: 1-[[2-[(5-bromanyl-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-4-piperidin-1-yl-piperidine Openeye Name: 1-[[2-[(5-bromo-2-methoxy-phenyl)methylsulfanyl]phenyl]methyl]-4-(1-piperidyl)piperidine CAS Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylthio]phenyl]methyl]-4-(1-piperidinyl)piperidine IUPAC Name: 1-[[2-[(5-bromo-2-methoxyphenyl)methylsulfanyl]phenyl]methyl]-4-piperidin-1-ylpiperidine Traditional Name: 1-[2-[(5-bromo-2-methoxy-benzyl)thio]benzyl]-4-piperidino-piperidine Formula: C25H33BrN2OS MolecularWeight: 489.51132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCC(CC3)N4CCCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)CSC2=CC=CC=C2CN3CCC(CC3)N4CCCCC4

InChI

InChI=1S/C25H33BrN2OS/c1-29-24-10-9-22(26)17-21(24)19-30-25-8-4-3-7-20(25)18-27-15-11-23(12-16-27)28-13-5-2-6-14-28/h3-4,7-10,17,23H,2,5-6,11-16,18-19H2,1H3