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

Systemtic Name: 4-[1,3-bis(oxidanylidene)-2-(phenylmethyl)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-(2-benzyl-1,3-dioxo-isoindolin-5-yl)sulfonylbenzoic acid CAS Name: 4-[[1,3-dioxo-2-(phenylmethyl)-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-(2-benzyl-1,3-dioxoisoindol-5-yl)sulfonylbenzoic acid Traditional Name: 4-(2-benzyl-1,3-diketo-isoindolin-5-yl)sulfonylbenzoic acid Formula: C22H15NO6S MolecularWeight: 421.4226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=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=C(C=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/C22H15NO6S/c24-20-18-11-10-17(30(28,29)16-8-6-15(7-9-16)22(26)27)12-19(18)21(25)23(20)13-14-4-2-1-3-5-14/h1-12H,13H2,(H,26,27)