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

Systemtic Name: methyl 4-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-ethanoyl]amino]benzoate Openeye Name: methyl 4-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenyl-acetyl]amino]benzoate CAS Name: 4-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-1-oxo-2-phenylethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-2-phenylacetyl]amino]benzoate Traditional Name: 4-[[2-phenyl-2-(piazthiol-4-ylsulfonylamino)acetyl]amino]benzoic acid methyl ester Formula: C22H18N4O5S2 MolecularWeight: 482.53212

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O5S2/c1-31-22(28)15-10-12-16(13-11-15)23-21(27)19(14-6-3-2-4-7-14)26-33(29,30)18-9-5-8-17-20(18)25-32-24-17/h2-13,19,26H,1H3,(H,23,27)