methyl 2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoate

Systemtic Name: methyl 2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanoate Openeye Name: methyl 2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetate CAS Name: 2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetate Traditional Name: 2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetic acid methyl ester Formula: C13H18N2O4S2 MolecularWeight: 330.42302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O4S2/c1-19-13(16)10-20-12-6-5-11(9-14-12)21(17,18)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8,10H2,1H3