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

Systemtic Name: 2-[2-[4-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[4-[4-(2-oxo-1-pyrrolidinyl)phenyl]sulfonyl-1-piperazin-1-iumyl]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[4-[4-(2-oxopyrrolidin-1-yl)phenyl]sulfonylpiperazin-1-ium-1-yl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[4-[4-(2-ketopyrrolidino)phenyl]sulfonylpiperazin-1-ium-1-yl]ethyl]isoindoline-1,3-quinone Formula: C24H27N4O5S+ MolecularWeight: 483.55998

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCN4C(=O)C5=CC=CC=C5C4=O

Isomeric SMILES

C1CC(=O)N(C1)C2=CC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)CCN4C(=O)C5=CC=CC=C5C4=O

InChI

InChI=1S/C24H26N4O5S/c29-22-6-3-11-27(22)18-7-9-19(10-8-18)34(32,33)26-15-12-25(13-16-26)14-17-28-23(30)20-4-1-2-5-21(20)24(28)31/h1-2,4-5,7-10H,3,6,11-17H2/p+1