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

Systemtic Name: 2-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(5-piperidinosulfonyl-2-pyridyl)thio]ethyl]isoindoline-1,3-quinone Formula: C20H21N3O4S2 MolecularWeight: 431.52844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H21N3O4S2/c24-19-16-6-2-3-7-17(16)20(25)23(19)12-13-28-18-9-8-15(14-21-18)29(26,27)22-10-4-1-5-11-22/h2-3,6-9,14H,1,4-5,10-13H2