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

Systemtic Name: 3-oxidanyl-4-[4-(3-phenylsulfanylpropoxy)phenyl]piperidine-1-carboxylate Openeye Name: 3-hydroxy-4-[4-(3-phenylsulfanylpropoxy)phenyl]piperidine-1-carboxylate CAS Name: 3-hydroxy-4-[4-[3-(phenylthio)propoxy]phenyl]-1-piperidinecarboxylate IUPAC Name: 3-hydroxy-4-[4-(3-phenylsulfanylpropoxy)phenyl]piperidine-1-carboxylate Traditional Name: 3-hydroxy-4-[4-[3-(phenylthio)propoxy]phenyl]piperidine-1-carboxylate Formula: C21H24NO4S- MolecularWeight: 386.48456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1C2=CC=C(C=C2)OCCCSC3=CC=CC=C3)O)C(=O)[O-]

Isomeric SMILES

C1CN(CC(C1C2=CC=C(C=C2)OCCCSC3=CC=CC=C3)O)C(=O)[O-]

InChI

InChI=1S/C21H25NO4S/c23-20-15-22(21(24)25)12-11-19(20)16-7-9-17(10-8-16)26-13-4-14-27-18-5-2-1-3-6-18/h1-3,5-10,19-20,23H,4,11-15H2,(H,24,25)/p-1