3-(7-azanyl-3-oxidanylidene-1H-isoindol-2-yl)piperidine-2,6-dione; benzenesulfonic acid

Systemtic Name: 3-(7-azanyl-3-oxidanylidene-1H-isoindol-2-yl)piperidine-2,6-dione; benzenesulfonic acid Openeye Name: 3-(4-amino-1-oxo-isoindolin-2-yl)piperidine-2,6-dione; benzenesulfonic acid CAS Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione; benzenesulfonic acid IUPAC Name: 3-(7-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione; benzenesulfonic acid Traditional Name: 3-(4-amino-1-keto-isoindolin-2-yl)piperidine-2,6-quinone; besylic acid Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C1CC(=O)NC(=O)C1N2CC3=C(C2=O)C=CC=C3N.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C13H13N3O3.C6H6O3S/c14-9-3-1-2-7-8(9)6-16(13(7)19)10-4-5-11(17)15-12(10)18;7-10(8,9)6-4-2-1-3-5-6/h1-3,10H,4-6,14H2,(H,15,17,18);1-5H,(H,7,8,9)