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

Systemtic Name: 4-[2-(1,3-benzothiazol-2-yl)-1,3-bis(oxidanylidene)isoindol-5-yl]sulfonylbenzoate Openeye Name: 4-[2-(1,3-benzothiazol-2-yl)-1,3-dioxo-isoindolin-5-yl]sulfonylbenzoate CAS Name: 4-[[2-(1,3-benzothiazol-2-yl)-1,3-dioxo-5-isoindolyl]sulfonyl]benzoate IUPAC Name: 4-[2-(1,3-benzothiazol-2-yl)-1,3-dioxoisoindol-5-yl]sulfonylbenzoate Traditional Name: 4-[2-(1,3-benzothiazol-2-yl)-1,3-diketo-isoindolin-5-yl]sulfonylbenzoate Formula: C22H11N2O6S2- MolecularWeight: 463.46254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)N3C(=O)C4=C(C3=O)C=C(C=C4)S(=O)(=O)C5=CC=C(C=C5)C(=O)[O-]

InChI

InChI=1S/C22H12N2O6S2/c25-19-15-10-9-14(32(29,30)13-7-5-12(6-8-13)21(27)28)11-16(15)20(26)24(19)22-23-17-3-1-2-4-18(17)31-22/h1-11H,(H,27,28)/p-1