[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate CAS Name: 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Traditional Name: 4-(piazthiol-4-ylsulfonylamino)butyric acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C18H16BrN3O5S2 MolecularWeight: 498.37074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCCC(=O)OCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCCC(=O)OCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C18H16BrN3O5S2/c19-13-8-6-12(7-9-13)15(23)11-27-17(24)5-2-10-20-29(25,26)16-4-1-3-14-18(16)22-28-21-14/h1,3-4,6-9,20H,2,5,10-11H2