[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-methoxy-4-methylsulfanyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-methoxy-4-methylsulfanyl-benzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 2-methoxy-4-methylsulfanyl-benzoate CAS Name: 2-methoxy-4-(methylthio)benzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-methoxy-4-methylsulfanylbenzoate Traditional Name: 2-methoxy-4-(methylthio)benzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C22H25NO6S2 MolecularWeight: 463.567

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=CC(=C1)SC)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C22H25NO6S2/c1-28-21-14-17(30-2)8-11-19(21)22(25)29-15-20(24)16-6-9-18(10-7-16)31(26,27)23-12-4-3-5-13-23/h6-11,14H,3-5,12-13,15H2,1-2H3