[2-[(4-fluoranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]phenyl] methanesulfonate

Systemtic Name: [2-[(4-fluoranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]phenyl] methanesulfonate Openeye Name: [2-[(4-fluoro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[[(4-fluoro-6-methoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]phenyl] ester IUPAC Name: [2-[(4-fluoro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-[(4-fluoro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]phenyl] ester Formula: C13H13FN4O7S2 MolecularWeight: 420.393323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2OS(=O)(=O)C)F

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2OS(=O)(=O)C)F

InChI

InChI=1S/C13H13FN4O7S2/c1-24-11-7-10(14)15-12(16-11)17-13(19)18-27(22,23)9-6-4-3-5-8(9)25-26(2,20)21/h3-7H,1-2H3,(H2,15,16,17,18,19)