(3-nitrophenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate

Systemtic Name: (3-nitrophenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Openeye Name: (3-nitrophenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate CAS Name: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate Traditional Name: 2-(piazthiol-4-ylsulfonylamino)propionic acid (3-nitrobenzyl) ester Formula: C16H14N4O6S2 MolecularWeight: 422.43556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC1=CC(=CC=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CC(C(=O)OCC1=CC(=CC=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C16H14N4O6S2/c1-10(16(21)26-9-11-4-2-5-12(8-11)20(22)23)19-28(24,25)14-7-3-6-13-15(14)18-27-17-13/h2-8,10,19H,9H2,1H3