2-[4-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]butyl]isoindole-1,3-dione

Systemtic Name: 2-[4-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]butyl]isoindole-1,3-dione Openeye Name: 2-[4-[[5-(1-piperidylsulfonyl)-1,3-benzoxazol-2-yl]sulfanyl]butyl]isoindoline-1,3-dione CAS Name: 2-[4-[[5-(1-piperidinylsulfonyl)-1,3-benzoxazol-2-yl]thio]butyl]isoindole-1,3-dione IUPAC Name: 2-[4-[(5-piperidin-1-ylsulfonyl-1,3-benzoxazol-2-yl)sulfanyl]butyl]isoindole-1,3-dione Traditional Name: 2-[4-[(5-piperidinosulfonyl-1,3-benzoxazol-2-yl)thio]butyl]isoindoline-1,3-quinone Formula: C24H25N3O5S2 MolecularWeight: 499.6024

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCCCCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=N3)SCCCCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H25N3O5S2/c28-22-18-8-2-3-9-19(18)23(29)27(22)14-6-7-15-33-24-25-20-16-17(10-11-21(20)32-24)34(30,31)26-12-4-1-5-13-26/h2-3,8-11,16H,1,4-7,12-15H2