methyl 3-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(3-piperidinosulfonylanilino)ethyl]thio]propionic acid methyl ester Formula: C17H24N2O5S2 MolecularWeight: 400.51286

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

COC(=O)CCSCC(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C17H24N2O5S2/c1-24-17(21)8-11-25-13-16(20)18-14-6-5-7-15(12-14)26(22,23)19-9-3-2-4-10-19/h5-7,12H,2-4,8-11,13H2,1H3,(H,18,20)