methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyloxy]-3-methoxy-benzoate

Systemtic Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyloxy]-3-methoxy-benzoate Openeye Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyloxy]-3-methoxy-benzoate CAS Name: 2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyloxy]-3-methoxybenzoic acid methyl ester IUPAC Name: methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyloxy]-3-methoxybenzoate Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyloxy]-3-methoxy-benzoic acid methyl ester Formula: C16H18N4O9S MolecularWeight: 442.40052

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1OS(=O)(=O)NC(=O)NC2=NC(=CC(=N2)OC)OC)C(=O)OC

InChI

InChI=1S/C16H18N4O9S/c1-25-10-7-5-6-9(14(21)28-4)13(10)29-30(23,24)20-16(22)19-15-17-11(26-2)8-12(18-15)27-3/h5-8H,1-4H3,(H2,17,18,19,20,22)