[2-(methoxycarbonylamino)-3-(phosphonooxymethyl)benzimidazol-5-yl] 4-fluoranylbenzenesulfonate

Systemtic Name: [2-(methoxycarbonylamino)-3-(phosphonooxymethyl)benzimidazol-5-yl] 4-fluoranylbenzenesulfonate Openeye Name: [2-(methoxycarbonylamino)-3-(phosphonooxymethyl)benzimidazol-5-yl] 4-fluorobenzenesulfonate CAS Name: 4-fluorobenzenesulfonic acid [2-(methoxycarbonylamino)-3-(phosphonooxymethyl)-5-benzimidazolyl] ester IUPAC Name: [2-(methoxycarbonylamino)-3-(phosphonooxymethyl)benzimidazol-5-yl] 4-fluorobenzenesulfonate Traditional Name: 4-fluorobenzenesulfonic acid [2-(carbomethoxyamino)-3-(phosphonooxymethyl)benzimidazol-5-yl] ester Formula: C16H15FN3O9PS MolecularWeight: 475.342164

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)NC1=NC2=C(N1COP(=O)(O)O)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)NC1=NC2=C(N1COP(=O)(O)O)C=C(C=C2)OS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H15FN3O9PS/c1-27-16(21)19-15-18-13-7-4-11(8-14(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)