3-oxidanyl-4-[4-[3-(phenylmethylsulfanyl)propoxy]phenyl]piperidine-1-carboxylate

Systemtic Name: 3-oxidanyl-4-[4-[3-(phenylmethylsulfanyl)propoxy]phenyl]piperidine-1-carboxylate Openeye Name: 4-[4-(3-benzylsulfanylpropoxy)phenyl]-3-hydroxy-piperidine-1-carboxylate CAS Name: 3-hydroxy-4-[4-[3-(phenylmethylthio)propoxy]phenyl]-1-piperidinecarboxylate IUPAC Name: 4-[4-(3-benzylsulfanylpropoxy)phenyl]-3-hydroxypiperidine-1-carboxylate Traditional Name: 4-[4-[3-(benzylthio)propoxy]phenyl]-3-hydroxy-piperidine-1-carboxylate Formula: C22H26NO4S- MolecularWeight: 400.51114

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCCCSCC3=CC=CC=C3)O)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCCCSCC3=CC=CC=C3)O)C(=O)[O-]

InChI

InChI=1S/C22H27NO4S/c24-21-15-23(22(25)26)12-11-20(21)18-7-9-19(10-8-18)27-13-4-14-28-16-17-5-2-1-3-6-17/h1-3,5-10,20-21,24H,4,11-16H2,(H,25,26)/p-1