methyl 1-[4-(2-phenylsulfanylethoxy)phenyl]carbonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-[4-(2-phenylsulfanylethoxy)phenyl]carbonylpiperidine-4-carboxylate Openeye Name: methyl 1-[4-(2-phenylsulfanylethoxy)benzoyl]piperidine-4-carboxylate CAS Name: 1-[oxo-[4-[2-(phenylthio)ethoxy]phenyl]methyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[4-(2-phenylsulfanylethoxy)benzoyl]piperidine-4-carboxylate Traditional Name: 1-[4-[2-(phenylthio)ethoxy]benzoyl]isonipecotic acid methyl ester Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)OCCSC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C2=CC=C(C=C2)OCCSC3=CC=CC=C3

InChI

InChI=1S/C22H25NO4S/c1-26-22(25)18-11-13-23(14-12-18)21(24)17-7-9-19(10-8-17)27-15-16-28-20-5-3-2-4-6-20/h2-10,18H,11-16H2,1H3