methyl 5-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]furan-2-carboxylate

Systemtic Name: methyl 5-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]furan-2-carboxylate Openeye Name: methyl 5-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-2-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]furan-2-carboxylic acid methyl ester Formula: C17H20N2O5S2 MolecularWeight: 396.4811

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC(=O)C1=CC=C(O1)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C17H20N2O5S2/c1-23-17(20)15-7-5-13(24-15)12-25-16-8-6-14(11-18-16)26(21,22)19-9-3-2-4-10-19/h5-8,11H,2-4,9-10,12H2,1H3