1-[4-[[(3-methylsulfanylphenyl)methylamino]methyl]phenoxy]-3-piperidin-1-yl-propan-2-ol

Systemtic Name: 1-[4-[[(3-methylsulfanylphenyl)methylamino]methyl]phenoxy]-3-piperidin-1-yl-propan-2-ol Openeye Name: 1-[4-[[(3-methylsulfanylphenyl)methylamino]methyl]phenoxy]-3-(1-piperidyl)propan-2-ol CAS Name: 1-[4-[[[3-(methylthio)phenyl]methylamino]methyl]phenoxy]-3-(1-piperidinyl)-2-propanol IUPAC Name: 1-[4-[[(3-methylsulfanylphenyl)methylamino]methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol Traditional Name: 1-[4-[[[3-(methylthio)benzyl]amino]methyl]phenoxy]-3-piperidino-propan-2-ol Formula: C23H32N2O2S MolecularWeight: 400.57738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)CNCC2=CC=C(C=C2)OCC(CN3CCCCC3)O

Isomeric SMILES

CSC1=CC=CC(=C1)CNCC2=CC=C(C=C2)OCC(CN3CCCCC3)O

InChI

InChI=1S/C23H32N2O2S/c1-28-23-7-5-6-20(14-23)16-24-15-19-8-10-22(11-9-19)27-18-21(26)17-25-12-3-2-4-13-25/h5-11,14,21,24,26H,2-4,12-13,15-18H2,1H3