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

Systemtic Name: sodium methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-[(methoxycarbonylamino)methyl]benzoate Openeye Name: sodium methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-[(methoxycarbonylamino)methyl]benzoate CAS Name: sodium 2-[[[(4,6-dimethoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]-4-[(methoxycarbonylamino)methyl]benzoic acid methyl ester IUPAC Name: sodium methyl 2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]-4-[(methoxycarbonylamino)methyl]benzoate Traditional Name: sodium 4-[(carbomethoxyamino)methyl]-2-[(4,6-dimethoxypyrimidin-2-yl)carbamoylsulfamoyl]benzoic acid methyl ester Formula: C18H21N5NaO9S+ MolecularWeight: 506.44221

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CNC(=O)OC)C(=O)OC)OC.[Na+]

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=C(C=CC(=C2)CNC(=O)OC)C(=O)OC)OC.[Na+]

InChI

InChI=1S/C18H21N5O9S.Na/c1-29-13-8-14(30-2)21-16(20-13)22-17(25)23-33(27,28)12-7-10(9-19-18(26)32-4)5-6-11(12)15(24)31-3;/h5-8H,9H2,1-4H3,(H,19,26)(H2,20,21,22,23,25);/q;+1