2-[[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl]amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[4-(hydroxymethyl)-6-methoxy-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[(4-methoxy-6-methylol-s-triazin-2-yl)carbamoylsulfamoyl]benzoic acid Formula: C13H13N5O7S MolecularWeight: 383.33662

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)CO

Isomeric SMILES

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)CO

InChI

InChI=1S/C13H13N5O7S/c1-25-13-15-9(6-19)14-11(17-13)16-12(22)18-26(23,24)8-5-3-2-4-7(8)10(20)21/h2-5,19H,6H2,1H3,(H,20,21)(H2,14,15,16,17,18,22)