2-[2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]ethyl]isoindoline-1,3-quinone Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C22H21N3O5S2/c26-20-16-6-2-3-7-17(16)21(27)25(20)12-13-31-22-23-18-14-15(8-9-19(18)30-22)32(28,29)24-10-4-1-5-11-24/h2-3,6-9,14H,1,4-5,10-13H2