(phenylmethyl) 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: (phenylmethyl) 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate Openeye Name: benzyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate CAS Name: 2-[[[(4,6-dimethyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoate Traditional Name: 2-[(4,6-dimethylpyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid benzyl ester Formula: C21H20N4O5S MolecularWeight: 440.4723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C21H20N4O5S/c1-14-12-15(2)23-20(22-14)24-21(27)25-31(28,29)18-11-7-6-10-17(18)19(26)30-13-16-8-4-3-5-9-16/h3-12H,13H2,1-2H3,(H2,22,23,24,25,27)