2-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-oxidanylidene-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-oxo-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-oxo-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-oxo-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-keto-2-[4-(2-thienylsulfonyl)piperazino]ethyl]isoindoline-1,3-quinone Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H17N3O5S2/c22-15(12-21-17(23)13-4-1-2-5-14(13)18(21)24)19-7-9-20(10-8-19)28(25,26)16-6-3-11-27-16/h1-6,11H,7-10,12H2