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

Systemtic Name: (4-methylsulfanylphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid [4-(methylthio)benzyl] ester Formula: C20H22ClNO4S2 MolecularWeight: 439.97598

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

CSC1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H22ClNO4S2/c1-27-18-6-2-15(3-7-18)14-26-20(23)16-10-12-22(13-11-16)28(24,25)19-8-4-17(21)5-9-19/h2-9,16H,10-14H2,1H3