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

Systemtic Name: 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[[4-ethoxy-6-(methylamino)-s-triazin-2-yl]carbamoylsulfamoyl]benzoic acid Formula: C14H16N6O6S MolecularWeight: 396.37844

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=N1)NC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CCOC1=NC(=NC(=N1)NC)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C14H16N6O6S/c1-3-26-14-18-11(15-2)16-12(19-14)17-13(23)20-27(24,25)9-7-5-4-6-8(9)10(21)22/h4-7H,3H2,1-2H3,(H,21,22)(H3,15,16,17,18,19,20,23)