disodium [5-(4-fluorophenyl)sulfonyloxy-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate

Systemtic Name: disodium [5-(4-fluorophenyl)sulfonyloxy-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate Openeye Name: disodium [5-(4-fluorophenyl)sulfonyloxy-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate CAS Name: disodium [5-(4-fluorophenyl)sulfonyloxy-2-(methoxycarbonylamino)-1-benzimidazolyl]methyl phosphate IUPAC Name: disodium [5-(4-fluorophenyl)sulfonyloxy-2-(methoxycarbonylamino)benzimidazol-1-yl]methyl phosphate Traditional Name: disodium [2-(carbomethoxyamino)-5-(4-fluorophenyl)sulfonyloxy-benzimidazol-1-yl]methyl phosphate Formula: C16H13FN3Na2O9PS MolecularWeight: 519.305824

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1COP(=O)([O-])[O-])C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)F.[Na+].[Na+]

Isomeric SMILES

COC(=O)NC1=NC2=C(N1COP(=O)([O-])[O-])C=CC(=C2)OS(=O)(=O)C3=CC=C(C=C3)F.[Na+].[Na+]

InChI

InChI=1S/C16H15FN3O9PS.2Na/c1-27-16(21)19-15-18-13-8-11(4-7-14(13)20(15)9-28-30(22,23)24)29-31(25,26)12-5-2-10(17)3-6-12;;/h2-8H,9H2,1H3,(H,18,19,21)(H2,22,23,24);;/q;2*+1/p-2