[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C21H23NO5S2 MolecularWeight: 433.54102

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

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