3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-phenoxy-5-sulfamoyl-benzoic acid

Systemtic Name: 3-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-phenoxy-5-sulfamoyl-benzoic acid Openeye Name: 3-(1,3-dioxoisoindolin-2-yl)-4-phenoxy-5-sulfamoyl-benzoic acid CAS Name: 3-(1,3-dioxo-2-isoindolyl)-4-phenoxy-5-sulfamoylbenzoic acid IUPAC Name: 3-(1,3-dioxoisoindol-2-yl)-4-phenoxy-5-sulfamoylbenzoic acid Traditional Name: 4-phenoxy-3-phthalimido-5-sulfamoyl-benzoic acid Formula: C21H14N2O7S MolecularWeight: 438.41006

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C21H14N2O7S/c22-31(28,29)17-11-12(21(26)27)10-16(18(17)30-13-6-2-1-3-7-13)23-19(24)14-8-4-5-9-15(14)20(23)25/h1-11H,(H,26,27)(H2,22,28,29)