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

Systemtic Name: 2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-(4-thiophen-2-ylsulfonyl-1-piperazin-1-iumyl)ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-(4-thiophen-2-ylsulfonylpiperazin-1-ium-1-yl)ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2-thienylsulfonyl)piperazin-1-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C18H20N3O4S2+ MolecularWeight: 406.4991

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C18H19N3O4S2/c22-17-14-4-1-2-5-15(14)18(23)21(17)12-9-19-7-10-20(11-8-19)27(24,25)16-6-3-13-26-16/h1-6,13H,7-12H2/p+1