(4-methylsulfanylphenyl) 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-methylsulfanylphenyl) 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (4-methylsulfanylphenyl) 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid [4-(methylthio)phenyl] ester IUPAC Name: (4-methylsulfanylphenyl) 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid [4-(methylthio)phenyl] ester Formula: C15H21NO4S2 MolecularWeight: 343.46154

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)SC

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)OC2=CC=C(C=C2)SC

InChI

InChI=1S/C15H21NO4S2/c1-3-22(18,19)16-10-8-12(9-11-16)15(17)20-13-4-6-14(21-2)7-5-13/h4-7,12H,3,8-11H2,1-2H3