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

Systemtic Name: 1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-[4-(furan-2-carbonyl)piperazin-1-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-[4-(2-furoyl)piperazino]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C20H24N4O5S2 MolecularWeight: 464.55836

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C20H24N4O5S2/c25-19(22-9-11-23(12-10-22)20(26)17-4-3-13-29-17)15-30-18-6-5-16(14-21-18)31(27,28)24-7-1-2-8-24/h3-6,13-14H,1-2,7-12,15H2