2-[4-methylsulfonyl-1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]-3H-isoindol-1-one

Systemtic Name: 2-[4-methylsulfonyl-1-oxidanylidene-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]-3H-isoindol-1-one Openeye Name: 2-[3-methylsulfonyl-1-[4-(2-pyridyl)piperazine-1-carbonyl]propyl]isoindolin-1-one CAS Name: 2-[4-methylsulfonyl-1-oxo-1-[4-(2-pyridinyl)-1-piperazinyl]butan-2-yl]-3H-isoindol-1-one IUPAC Name: 2-[4-methylsulfonyl-1-oxo-1-(4-pyridin-2-ylpiperazin-1-yl)butan-2-yl]-3H-isoindol-1-one Traditional Name: 2-[3-mesyl-1-[4-(2-pyridyl)piperazine-1-carbonyl]propyl]isoindolin-1-one Formula: C22H26N4O4S MolecularWeight: 442.53124

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)N1CCN(CC1)C2=CC=CC=N2)N3CC4=CC=CC=C4C3=O

Isomeric SMILES

CS(=O)(=O)CCC(C(=O)N1CCN(CC1)C2=CC=CC=N2)N3CC4=CC=CC=C4C3=O

InChI

InChI=1S/C22H26N4O4S/c1-31(29,30)15-9-19(26-16-17-6-2-3-7-18(17)21(26)27)22(28)25-13-11-24(12-14-25)20-8-4-5-10-23-20/h2-8,10,19H,9,11-16H2,1H3