2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-(2-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-(2-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C20H21FN3O4S+ MolecularWeight: 418.461843

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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=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CCN2C(=O)C3=CC=CC=C3C2=O)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C20H20FN3O4S/c21-17-7-3-4-8-18(17)29(27,28)23-12-9-22(10-13-23)11-14-24-19(25)15-5-1-2-6-16(15)20(24)26/h1-8H,9-14H2/p+1