methyl 4-[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoylamino]benzoate

Systemtic Name: methyl 4-[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoylamino]benzoate Openeye Name: methyl 4-[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoylamino]benzoate CAS Name: 4-[[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1-oxopropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[3-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoylamino]benzoate Traditional Name: 4-[3-(piazthiol-4-ylsulfonylamino)propanoylamino]benzoic acid methyl ester Formula: C17H16N4O5S2 MolecularWeight: 420.46274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C17H16N4O5S2/c1-26-17(23)11-5-7-12(8-6-11)19-15(22)9-10-18-28(24,25)14-4-2-3-13-16(14)21-27-20-13/h2-8,18H,9-10H2,1H3,(H,19,22)