2-[(4-fluoranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzenesulfonic acid

Systemtic Name: 2-[(4-fluoranyl-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzenesulfonic acid Openeye Name: 2-[(4-fluoro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]benzenesulfonic acid CAS Name: 2-[[[(4-fluoro-6-methoxy-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzenesulfonic acid IUPAC Name: 2-[(4-fluoro-6-methoxypyrimidin-2-yl)carbamoylsulfamoyl]benzenesulfonic acid Traditional Name: 2-[(4-fluoro-6-methoxy-pyrimidin-2-yl)carbamoylsulfamoyl]besylic acid Formula: C12H11FN4O7S2 MolecularWeight: 406.366743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)O)F

Isomeric SMILES

COC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)O)F

InChI

InChI=1S/C12H11FN4O7S2/c1-24-10-6-9(13)14-11(15-10)16-12(18)17-25(19,20)7-4-2-3-5-8(7)26(21,22)23/h2-6H,1H3,(H,21,22,23)(H2,14,15,16,17,18)