[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-methylsulfanylbenzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-methylsulfanylbenzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 2-methylsulfanylbenzoate CAS Name: 2-(methylthio)benzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 2-methylsulfanylbenzoate Traditional Name: 2-(methylthio)benzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CSC1=CC=CC=C1C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H23NO5S2/c1-28-20-8-4-3-7-18(20)21(24)27-15-19(23)16-9-11-17(12-10-16)29(25,26)22-13-5-2-6-14-22/h3-4,7-12H,2,5-6,13-15H2,1H3