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

Systemtic Name: 4-[1,3-bis(oxidanylidene)-2-(pyridin-4-ylcarbonylamino)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[1,3-dioxo-2-(pyridine-4-carbonylamino)isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[1,3-dioxo-2-[[oxo(pyridin-4-yl)methyl]amino]-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[1,3-dioxo-2-(pyridine-4-carbonylamino)isoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-(2-isonicotinamido-1,3-diketo-isoindolin-5-yl)sulfonylbenzoic acid Formula: C21H13N3O7S MolecularWeight: 451.40882

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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)NC(=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)NC(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H13N3O7S/c25-18(12-7-9-22-10-8-12)23-24-19(26)16-6-5-15(11-17(16)20(24)27)32(30,31)14-3-1-13(2-4-14)21(28)29/h1-11H,(H,23,25)(H,28,29)