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

Systemtic Name: [2-(2-bromophenyl)-2-oxidanylidene-ethyl] (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Openeye Name: [2-(2-bromophenyl)-2-oxo-ethyl] (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate CAS Name: (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoic acid [2-(2-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2-bromophenyl)-2-oxoethyl] (2R)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Traditional Name: (2R)-2-(piazthiol-4-ylsulfonylamino)propionic acid [2-(2-bromophenyl)-2-keto-ethyl] ester Formula: C17H14BrN3O5S2 MolecularWeight: 484.34416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=CC=C1Br)NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

C[C@H](C(=O)OCC(=O)C1=CC=CC=C1Br)NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C17H14BrN3O5S2/c1-10(17(23)26-9-14(22)11-5-2-3-6-12(11)18)21-28(24,25)15-8-4-7-13-16(15)20-27-19-13/h2-8,10,21H,9H2,1H3/t10-/m1/s1