methyl 1-[(2S)-2-oxidanyl-3-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[(2S)-2-oxidanyl-3-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(2S)-2-hydroxy-3-[3-(thiomorpholinomethyl)phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-2-hydroxy-3-[3-(thiomorpholin-4-ylmethyl)phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-3-[3-(thiomorpholinomethyl)phenoxy]propyl]isonipecotic acid methyl ester Formula: C21H32N2O4S MolecularWeight: 408.55478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=CC(=C2)CN3CCSCC3)O

Isomeric SMILES

COC(=O)C1CCN(CC1)C[C@@H](COC2=CC=CC(=C2)CN3CCSCC3)O

InChI

InChI=1S/C21H32N2O4S/c1-26-21(25)18-5-7-22(8-6-18)15-19(24)16-27-20-4-2-3-17(13-20)14-23-9-11-28-12-10-23/h2-4,13,18-19,24H,5-12,14-16H2,1H3/t19-/m0/s1