[3-oxidanyl-2-[4-[3-(phenylmethylsulfanyl)propoxy]phenyl]piperidin-1-yl] hydrogen carbonate

Systemtic Name: [3-oxidanyl-2-[4-[3-(phenylmethylsulfanyl)propoxy]phenyl]piperidin-1-yl] hydrogen carbonate Openeye Name: [2-[4-(3-benzylsulfanylpropoxy)phenyl]-3-hydroxy-1-piperidyl] hydrogen carbonate CAS Name: carbonic acid [3-hydroxy-2-[4-[3-(phenylmethylthio)propoxy]phenyl]-1-piperidinyl] ester IUPAC Name: [2-[4-(3-benzylsulfanylpropoxy)phenyl]-3-hydroxypiperidin-1-yl] hydrogen carbonate Traditional Name: carbonic acid [2-[4-[3-(benzylthio)propoxy]phenyl]-3-hydroxy-piperidino] ester Formula: C22H27NO5S MolecularWeight: 417.51848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(N(C1)OC(=O)O)C2=CC=C(C=C2)OCCCSCC3=CC=CC=C3)O

Isomeric SMILES

C1CC(C(N(C1)OC(=O)O)C2=CC=C(C=C2)OCCCSCC3=CC=CC=C3)O

InChI

InChI=1S/C22H27NO5S/c24-20-8-4-13-23(28-22(25)26)21(20)18-9-11-19(12-10-18)27-14-5-15-29-16-17-6-2-1-3-7-17/h1-3,6-7,9-12,20-21,24H,4-5,8,13-16H2,(H,25,26)