2-[4-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylbutyl]isoindole-1,3-dione

Systemtic Name: 2-[4-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylbutyl]isoindole-1,3-dione Openeye Name: 2-[4-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylbutyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5-piperidinosulfonyl-2-pyridyl)thio]butyl]isoindoline-1,3-quinone Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C22H25N3O4S2/c26-21-18-8-2-3-9-19(18)22(27)25(21)14-6-7-15-30-20-11-10-17(16-23-20)31(28,29)24-12-4-1-5-13-24/h2-3,8-11,16H,1,4-7,12-15H2