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

Systemtic Name: 4-[2-[(4-methylphenyl)carbonylamino]-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoic acid Openeye Name: 4-[2-[(4-methylbenzoyl)amino]-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoic acid CAS Name: 4-[[2-[[(4-methylphenyl)-oxomethyl]amino]-1,3-dioxo-5-isoindolyl]sulfonyl]benzoic acid IUPAC Name: 4-[2-[(4-methylbenzoyl)amino]-1,3-dioxoisoindol-5-yl]sulfonylbenzoic acid Traditional Name: 4-[1,3-diketo-2-(p-toluoylamino)isoindolin-5-yl]sulfonylbenzoic acid Formula: C23H16N2O7S MolecularWeight: 464.44734

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=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

CC1=CC=C(C=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/C23H16N2O7S/c1-13-2-4-14(5-3-13)20(26)24-25-21(27)18-11-10-17(12-19(18)22(25)28)33(31,32)16-8-6-15(7-9-16)23(29)30/h2-12H,1H3,(H,24,26)(H,29,30)