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

Systemtic Name: methyl 1-[(2S)-3-[4-[(3-methylsulfanylpropylamino)methyl]phenoxy]-2-oxidanyl-propyl]piperidine-4-carboxylate Openeye Name: methyl 1-[(2S)-2-hydroxy-3-[4-[(3-methylsulfanylpropylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate CAS Name: 1-[(2S)-2-hydroxy-3-[4-[[3-(methylthio)propylamino]methyl]phenoxy]propyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[(2S)-2-hydroxy-3-[4-[(3-methylsulfanylpropylamino)methyl]phenoxy]propyl]piperidine-4-carboxylate Traditional Name: 1-[(2S)-2-hydroxy-3-[4-[[3-(methylthio)propylamino]methyl]phenoxy]propyl]isonipecotic acid methyl ester Formula: C21H34N2O4S MolecularWeight: 410.57066

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)CC(COC2=CC=C(C=C2)CNCCCSC)O

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O4S/c1-26-21(25)18-8-11-23(12-9-18)15-19(24)16-27-20-6-4-17(5-7-20)14-22-10-3-13-28-2/h4-7,18-19,22,24H,3,8-16H2,1-2H3/t19-/m0/s1