methyl 4-[(4,6-dimethoxypyrimidin-2-yl)-(2-oxidanylidenepropylamino)carbamoyl]-2-sulfamoyl-benzoate

Systemtic Name: methyl 4-[(4,6-dimethoxypyrimidin-2-yl)-(2-oxidanylidenepropylamino)carbamoyl]-2-sulfamoyl-benzoate Openeye Name: methyl 4-[(acetonylamino)-(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2-sulfamoyl-benzoate CAS Name: 4-[[(4,6-dimethoxy-2-pyrimidinyl)-(2-oxopropylamino)amino]-oxomethyl]-2-sulfamoylbenzoic acid methyl ester IUPAC Name: methyl 4-[(4,6-dimethoxypyrimidin-2-yl)-(2-oxopropylamino)carbamoyl]-2-sulfamoylbenzoate Traditional Name: 4-[(acetonylamino)-(4,6-dimethoxypyrimidin-2-yl)carbamoyl]-2-sulfamoyl-benzoic acid methyl ester Formula: C18H21N5O8S MolecularWeight: 467.45304

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CNN(C1=NC(=CC(=N1)OC)OC)C(=O)C2=CC(=C(C=C2)C(=O)OC)S(=O)(=O)N

Isomeric SMILES

CC(=O)CNN(C1=NC(=CC(=N1)OC)OC)C(=O)C2=CC(=C(C=C2)C(=O)OC)S(=O)(=O)N

InChI

InChI=1S/C18H21N5O8S/c1-10(24)9-20-23(18-21-14(29-2)8-15(22-18)30-3)16(25)11-5-6-12(17(26)31-4)13(7-11)32(19,27)28/h5-8,20H,9H2,1-4H3,(H2,19,27,28)