(4-fluorophenyl) 2-(methoxycarbonylamino)-1-(phosphonooxymethyl)benzimidazole-5-sulfonate

Systemtic Name: (4-fluorophenyl) 2-(methoxycarbonylamino)-1-(phosphonooxymethyl)benzimidazole-5-sulfonate Openeye Name: (4-fluorophenyl) 2-(methoxycarbonylamino)-1-(phosphonooxymethyl)benzimidazole-5-sulfonate CAS Name: 2-(methoxycarbonylamino)-1-(phosphonooxymethyl)-5-benzimidazolesulfonic acid (4-fluorophenyl) ester IUPAC Name: (4-fluorophenyl) 2-(methoxycarbonylamino)-1-(phosphonooxymethyl)benzimidazole-5-sulfonate Traditional Name: 2-(carbomethoxyamino)-1-(phosphonooxymethyl)benzimidazole-5-sulfonic acid (4-fluorophenyl) 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=CC(=C2)S(=O)(=O)OC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)NC1=NC2=C(N1COP(=O)(O)O)C=CC(=C2)S(=O)(=O)OC3=CC=C(C=C3)F

InChI

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