methyl 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoylsulfamoyl]benzoate Openeye Name: methyl 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoylsulfamoyl]benzoate CAS Name: 2-[[oxo-[(5-phenyl-1,3,4-thiadiazol-2-yl)amino]methyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoylsulfamoyl]benzoate Traditional Name: 2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoylsulfamoyl]benzoic acid methyl ester Formula: C17H14N4O5S2 MolecularWeight: 418.44686

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NN=C(S2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1S(=O)(=O)NC(=O)NC2=NN=C(S2)C3=CC=CC=C3

InChI

InChI=1S/C17H14N4O5S2/c1-26-15(22)12-9-5-6-10-13(12)28(24,25)21-16(23)18-17-20-19-14(27-17)11-7-3-2-4-8-11/h2-10H,1H3,(H2,18,20,21,23)