methyl 2-[1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-oxidanylidene-1-[(4-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]sulfanylethanoate Openeye Name: methyl 2-[1-methyl-2-oxo-2-[4-(1-piperidylsulfonyl)anilino]ethyl]sulfanylacetate CAS Name: 2-[[1-oxo-1-[4-(1-piperidinylsulfonyl)anilino]propan-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-oxo-1-(4-piperidin-1-ylsulfonylanilino)propan-2-yl]sulfanylacetate Traditional Name: 2-[[2-keto-1-methyl-2-(4-piperidinosulfonylanilino)ethyl]thio]acetic acid methyl ester Formula: C17H24N2O5S2 MolecularWeight: 400.51286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SCC(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2)SCC(=O)OC

InChI

InChI=1S/C17H24N2O5S2/c1-13(25-12-16(20)24-2)17(21)18-14-6-8-15(9-7-14)26(22,23)19-10-4-3-5-11-19/h6-9,13H,3-5,10-12H2,1-2H3,(H,18,21)