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

Systemtic Name: 4-[1,3-bis(oxidanylidene)-2-(pyridin-3-ylmethyl)isoindol-5-yl]sulfonylbenzoate Openeye Name: 4-[1,3-dioxo-2-(3-pyridylmethyl)isoindolin-5-yl]sulfonylbenzoate CAS Name: 4-[[1,3-dioxo-2-(3-pyridinylmethyl)-5-isoindolyl]sulfonyl]benzoate IUPAC Name: 4-[1,3-dioxo-2-(pyridin-3-ylmethyl)isoindol-5-yl]sulfonylbenzoate Traditional Name: 4-[1,3-diketo-2-(3-pyridylmethyl)isoindolin-5-yl]sulfonylbenzoate Formula: C21H13N2O6S- MolecularWeight: 421.40272

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CN2C(=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)CN2C(=O)C3=C(C2=O)C=C(C=C3)S(=O)(=O)C4=CC=C(C=C4)C(=O)[O-]

InChI

InChI=1S/C21H14N2O6S/c24-19-17-8-7-16(30(28,29)15-5-3-14(4-6-15)21(26)27)10-18(17)20(25)23(19)12-13-2-1-9-22-11-13/h1-11H,12H2,(H,26,27)/p-1