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

Systemtic Name: ethyl 4-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenyl-propanoyl]amino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H22N4O5S2 MolecularWeight: 510.58528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N4O5S2/c1-2-33-24(30)17-11-13-18(14-12-17)25-23(29)20(15-16-7-4-3-5-8-16)28-35(31,32)21-10-6-9-19-22(21)27-34-26-19/h3-14,20,28H,2,15H2,1H3,(H,25,29)