2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzenesulfonic acid

Systemtic Name: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzenesulfonic acid Openeye Name: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzenesulfonic acid CAS Name: 2-[[[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzenesulfonic acid IUPAC Name: 2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzenesulfonic acid Traditional Name: 2-[(4,6-dimethoxy-s-triazin-2-yl)carbamoylsulfamoyl]besylic acid Formula: C12H13N5O8S2 MolecularWeight: 419.39032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N5O8S2/c1-24-11-14-9(15-12(16-11)25-2)13-10(18)17-26(19,20)7-5-3-4-6-8(7)27(21,22)23/h3-6H,1-2H3,(H,21,22,23)(H2,13,14,15,16,17,18)