methyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]sulfamoylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]sulfamoylmethyl]benzoate Openeye Name: methyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]sulfamoylmethyl]benzoate CAS Name: 4-[[4-(2-pyrimidinylsulfamoyl)phenyl]sulfamoylmethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]sulfamoylmethyl]benzoate Traditional Name: 4-[[4-(2-pyrimidylsulfamoyl)phenyl]sulfamoylmethyl]benzoic acid methyl ester Formula: C19H18N4O6S2 MolecularWeight: 462.49942

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CS(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3

InChI

InChI=1S/C19H18N4O6S2/c1-29-18(24)15-5-3-14(4-6-15)13-30(25,26)22-16-7-9-17(10-8-16)31(27,28)23-19-20-11-2-12-21-19/h2-12,22H,13H2,1H3,(H,20,21,23)