[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 2-[(3-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(3-chlorophenyl)methylthio]acetic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-[(3-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(3-chlorobenzyl)thio]acetic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C22H24ClNO5S2 MolecularWeight: 482.01266

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)CSCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)CSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H24ClNO5S2/c23-19-6-4-5-17(13-19)15-30-16-22(26)29-14-21(25)18-7-9-20(10-8-18)31(27,28)24-11-2-1-3-12-24/h4-10,13H,1-3,11-12,14-16H2