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

Systemtic Name: ethyl 2-[1-oxidanylidene-1-[(3-piperidin-1-ylsulfonylphenyl)amino]propan-2-yl]sulfanylethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H26N2O5S2 MolecularWeight: 414.53944

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC(C)C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CCOC(=O)CSC(C)C(=O)NC1=CC(=CC=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H26N2O5S2/c1-3-25-17(21)13-26-14(2)18(22)19-15-8-7-9-16(12-15)27(23,24)20-10-5-4-6-11-20/h7-9,12,14H,3-6,10-11,13H2,1-2H3,(H,19,22)