4-[1,3-bis(oxidanylidene)-2-pyridin-4-yl-isoindol-5-yl]sulfonylbenzoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)-2-pyridin-4-yl-isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[1,3-dioxo-2-(4-pyridyl)isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[(1,3-dioxo-2-pyridin-4-yl-5-isoindolyl)sulfonyl]benzoic acid IUPAC Name: 4-(1,3-dioxo-2-pyridin-4-ylisoindol-5-yl)sulfonylbenzoic acid Traditional Name: 4-[1,3-diketo-2-(4-pyridyl)isoindolin-5-yl]sulfonylbenzoic acid Formula: C20H12N2O6S MolecularWeight: 408.38408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC(=CC=C1C(=O)O)S(=O)(=O)C2=CC3=C(C=C2)C(=O)N(C3=O)C4=CC=NC=C4

InChI

InChI=1S/C20H12N2O6S/c23-18-16-6-5-15(29(27,28)14-3-1-12(2-4-14)20(25)26)11-17(16)19(24)22(18)13-7-9-21-10-8-13/h1-11H,(H,25,26)