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

Systemtic Name: 4-[1,3-bis(oxidanylidene)-2-(pyridin-3-ylcarbonylamino)isoindol-5-yl]sulfonylbenzoate Openeye Name: 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindolin-5-yl]sulfonylbenzoate CAS Name: 4-[[1,3-dioxo-2-[[oxo(3-pyridinyl)methyl]amino]-5-isoindolyl]sulfonyl]benzoate IUPAC Name: 4-[1,3-dioxo-2-(pyridine-3-carbonylamino)isoindol-5-yl]sulfonylbenzoate Traditional Name: 4-(1,3-diketo-2-nicotinamido-isoindolin-5-yl)sulfonylbenzoate Formula: C21H12N3O7S- MolecularWeight: 450.40088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)NN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C(=O)NN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)[O-]

InChI

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