[(1S,2S)-1-(4-hydroxyphenyl)-2-(4-oxidanyl-4-phenyl-piperidin-1-yl)propyl] methanesulfonate

Systemtic Name: [(1S,2S)-1-(4-hydroxyphenyl)-2-(4-oxidanyl-4-phenyl-piperidin-1-yl)propyl] methanesulfonate Openeye Name: [(1S,2S)-1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenyl-1-piperidyl)propyl] methanesulfonate CAS Name: methanesulfonic acid [(1S,2S)-1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenyl-1-piperidinyl)propyl] ester IUPAC Name: [(1S,2S)-1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenylpiperidin-1-yl)propyl] methanesulfonate Traditional Name: methanesulfonic acid [(1S,2S)-1-(4-hydroxyphenyl)-2-(4-hydroxy-4-phenyl-piperidino)propyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1=CC=C(C=C1)O)OS(=O)(=O)C)N2CCC(CC2)(C3=CC=CC=C3)O

Isomeric SMILES

C[C@@H]([C@H](C1=CC=C(C=C1)O)OS(=O)(=O)C)N2CCC(CC2)(C3=CC=CC=C3)O

InChI

InChI=1S/C21H27NO5S/c1-16(20(27-28(2,25)26)17-8-10-19(23)11-9-17)22-14-12-21(24,13-15-22)18-6-4-3-5-7-18/h3-11,16,20,23-24H,12-15H2,1-2H3/t16-,20+/m0/s1