methyl 4-cyano-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate

Systemtic Name: methyl 4-cyano-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate Openeye Name: methyl 4-cyano-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate CAS Name: 4-cyano-2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-cyano-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoate Traditional Name: 4-cyano-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid methyl ester Formula: C16H15N5O7S MolecularWeight: 421.3846

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)C#N)C(=O)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)C#N)C(=O)OC)OC

InChI

InChI=1S/C16H15N5O7S/c1-26-12-7-13(27-2)19-15(18-12)20-16(23)21-29(24,25)11-6-9(8-17)4-5-10(11)14(22)28-3/h4-7H,1-3H3,(H2,18,19,20,21,23)