1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-[4-(2-furoyl)piperazino]-2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethanone Formula: C21H26N4O5S2 MolecularWeight: 478.58494

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C21H26N4O5S2/c26-20(23-10-12-24(13-11-23)21(27)18-5-4-14-30-18)16-31-19-7-6-17(15-22-19)32(28,29)25-8-2-1-3-9-25/h4-7,14-15H,1-3,8-13,16H2