methyl 1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: methyl 1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: methyl 1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[4-(methylthio)phenyl]sulfonyl-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-(4-methylsulfanylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-[4-(methylthio)phenyl]sulfonylisonipecotic acid methyl ester Formula: C14H19NO4S2 MolecularWeight: 329.43496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C14H19NO4S2/c1-19-14(16)11-7-9-15(10-8-11)21(17,18)13-5-3-12(20-2)4-6-13/h3-6,11H,7-10H2,1-2H3