[2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate

Systemtic Name: [2-(4-methylsulfanylphenyl)-2-oxidanylidene-ethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Openeye Name: [2-(4-methylsulfanylphenyl)-2-oxo-ethyl] 3-[4-(1-piperidylsulfonyl)phenyl]propanoate CAS Name: 3-[4-(1-piperidinylsulfonyl)phenyl]propanoic acid [2-[4-(methylthio)phenyl]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylphenyl)-2-oxoethyl] 3-(4-piperidin-1-ylsulfonylphenyl)propanoate Traditional Name: 3-(4-piperidinosulfonylphenyl)propionic acid [2-keto-2-[4-(methylthio)phenyl]ethyl] ester Formula: C23H27NO5S2 MolecularWeight: 461.59418

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)COC(=O)CCC2=CC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C23H27NO5S2/c1-30-20-10-8-19(9-11-20)22(25)17-29-23(26)14-7-18-5-12-21(13-6-18)31(27,28)24-15-3-2-4-16-24/h5-6,8-13H,2-4,7,14-17H2,1H3