4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[[4-(trifluoromethyloxy)phenyl]sulfonylamino]butanoic acid

Systemtic Name: 4-[1,3-bis(oxidanylidene)isoindol-2-yl]-2-[[4-(trifluoromethyloxy)phenyl]sulfonylamino]butanoic acid Openeye Name: 4-(1,3-dioxoisoindolin-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid CAS Name: 4-(1,3-dioxo-2-isoindolyl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid IUPAC Name: 4-(1,3-dioxoisoindol-2-yl)-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butanoic acid Traditional Name: 4-phthalimido-2-[[4-(trifluoromethoxy)phenyl]sulfonylamino]butyric acid Formula: C19H15F3N2O7S MolecularWeight: 472.39181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CCC(C(=O)O)NS(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C19H15F3N2O7S/c20-19(21,22)31-11-5-7-12(8-6-11)32(29,30)23-15(18(27)28)9-10-24-16(25)13-3-1-2-4-14(13)17(24)26/h1-8,15,23H,9-10H2,(H,27,28)