2-[1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[1-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-4-methylsulfonyl-1-oxidanylidene-butan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[1-[4-(furan-2-carbonyl)piperazine-1-carbonyl]-3-methylsulfonyl-propyl]isoindolin-1-one CAS Name: 2-[1-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-4-methylsulfonyl-1-oxobutan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-methylsulfonyl-1-oxobutan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[1-[4-(2-furoyl)piperazine-1-carbonyl]-3-mesyl-propyl]isoindolin-1-one Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)N1CCN(CC1)C(=O)C2=CC=CO2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H25N3O6S/c1-32(29,30)14-8-18(25-15-16-5-2-3-6-17(16)20(25)26)21(27)23-9-11-24(12-10-23)22(28)19-7-4-13-31-19/h2-7,13,18H,8-12,14-15H2,1H3