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

Systemtic Name: 2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzenesulfonic acid Openeye Name: 2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]benzenesulfonic acid CAS Name: 2-[[[(4-methoxy-6-methyl-2-pyrimidinyl)amino]-oxomethyl]sulfamoyl]benzenesulfonic acid IUPAC Name: 2-[(4-methoxy-6-methylpyrimidin-2-yl)carbamoylsulfamoyl]benzenesulfonic acid Traditional Name: 2-[(4-methoxy-6-methyl-pyrimidin-2-yl)carbamoylsulfamoyl]besylic acid Formula: C13H14N4O7S2 MolecularWeight: 402.40286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2S(=O)(=O)O)OC

InChI

InChI=1S/C13H14N4O7S2/c1-8-7-11(24-2)15-12(14-8)16-13(18)17-25(19,20)9-5-3-4-6-10(9)26(21,22)23/h3-7H,1-2H3,(H,21,22,23)(H2,14,15,16,17,18)