3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)phenyl]carbonylamino]propanoic acid

Systemtic Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)phenyl]carbonylamino]propanoic acid Openeye Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzoyl]amino]propanoic acid CAS Name: 3-[[[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)phenyl]-oxomethyl]amino]propanoic acid IUPAC Name: 3-[[4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzoyl]amino]propanoic acid Traditional Name: 3-[[4-(piazthiol-4-ylsulfonylamino)benzoyl]amino]propionic acid Formula: C16H14N4O5S2 MolecularWeight: 406.43616

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NCCC(=O)O

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NC3=CC=C(C=C3)C(=O)NCCC(=O)O

InChI

InChI=1S/C16H14N4O5S2/c21-14(22)8-9-17-16(23)10-4-6-11(7-5-10)20-27(24,25)13-3-1-2-12-15(13)19-26-18-12/h1-7,20H,8-9H2,(H,17,23)(H,21,22)