methyl 4-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]benzoate

Systemtic Name: methyl 4-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]benzoate Openeye Name: methyl 4-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]benzoate CAS Name: 4-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1-oxo-3-phenylpropyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylpropanoyl]amino]benzoate Traditional Name: 4-[[3-phenyl-2-(piazthiol-4-ylsulfonylamino)propanoyl]amino]benzoic acid methyl ester Formula: C23H20N4O5S2 MolecularWeight: 496.5587

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=CC4=NSN=C43

InChI

InChI=1S/C23H20N4O5S2/c1-32-23(29)16-10-12-17(13-11-16)24-22(28)19(14-15-6-3-2-4-7-15)27-34(30,31)20-9-5-8-18-21(20)26-33-25-18/h2-13,19,27H,14H2,1H3,(H,24,28)