methyl 2-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]ethanoate

Systemtic Name: methyl 2-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetyl]amino]acetic acid methyl ester Formula: C15H21N3O5S2 MolecularWeight: 387.47434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

COC(=O)CNC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C15H21N3O5S2/c1-23-15(20)10-16-13(19)11-24-14-6-5-12(9-17-14)25(21,22)18-7-3-2-4-8-18/h5-6,9H,2-4,7-8,10-11H2,1H3,(H,16,19)