2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione

Systemtic Name: 2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione CAS Name: 2-[2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethyl]benzo[de]isoquinoline-1,3-dione IUPAC Name: 2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethyl]benzo[de]isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(2-thienylsulfonyl)piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H21N3O4S2/c26-21-17-6-1-4-16-5-2-7-18(20(16)17)22(27)25(21)14-11-23-9-12-24(13-10-23)31(28,29)19-8-3-15-30-19/h1-8,15H,9-14H2