methyl 2-[1-oxidanylidene-1-[(3-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]sulfanylethanoate

Systemtic Name: methyl 2-[1-oxidanylidene-1-[(3-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]sulfanylethanoate Openeye Name: methyl 2-[1-methyl-2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl]sulfanylacetate CAS Name: 2-[[1-oxo-1-[3-(1-piperidinylsulfonyl)anilino]propan-2-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[1-oxo-1-(3-piperidin-1-ylsulfonylanilino)propan-2-yl]sulfanylacetate Traditional Name: 2-[[2-keto-1-methyl-2-(3-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(=CC=C1)S(=O)(=O)N2CCCCC2)SCC(=O)OC

Isomeric SMILES

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

InChI

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