3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(4-fluorophenyl)propanoic acid

Systemtic Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(4-fluorophenyl)propanoic acid Openeye Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(4-fluorophenyl)propanoic acid CAS Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(4-fluorophenyl)propanoic acid IUPAC Name: 3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-(4-fluorophenyl)propanoic acid Traditional Name: 3-(4-fluorophenyl)-3-(piazthiol-4-ylsulfonylamino)propionic acid Formula: C15H12FN3O4S2 MolecularWeight: 381.401883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC(CC(=O)O)C3=CC=C(C=C3)F

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC(CC(=O)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C15H12FN3O4S2/c16-10-6-4-9(5-7-10)12(8-14(20)21)19-25(22,23)13-3-1-2-11-15(13)18-24-17-11/h1-7,12,19H,8H2,(H,20,21)