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

Systemtic Name: 2-[3-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropyl]isoindole-1,3-dione Openeye Name: 2-[3-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propyl]isoindoline-1,3-dione CAS Name: 2-[3-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propyl]isoindole-1,3-dione IUPAC Name: 2-[3-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropyl]isoindole-1,3-dione Traditional Name: 2-[3-[(5-piperidinosulfonyl-2-pyridyl)thio]propyl]isoindoline-1,3-quinone Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H23N3O4S2/c25-20-17-7-2-3-8-18(17)21(26)24(20)13-6-14-29-19-10-9-16(15-22-19)30(27,28)23-11-4-1-5-12-23/h2-3,7-10,15H,1,4-6,11-14H2