2-[aminocarbonyl-(4-methoxy-5-methyl-1,3,5-triazin-5-ium-2-yl)sulfamoyl]benzoic acid

Systemtic Name: 2-[aminocarbonyl-(4-methoxy-5-methyl-1,3,5-triazin-5-ium-2-yl)sulfamoyl]benzoic acid Openeye Name: 2-[carbamoyl-(4-methoxy-5-methyl-1,3,5-triazin-5-ium-2-yl)sulfamoyl]benzoic acid CAS Name: 2-[carbamoyl-(4-methoxy-5-methyl-1,3,5-triazin-5-ium-2-yl)sulfamoyl]benzoic acid IUPAC Name: 2-[carbamoyl-(4-methoxy-5-methyl-1,3,5-triazin-5-ium-2-yl)sulfamoyl]benzoic acid Traditional Name: 2-[carbamoyl-(4-methoxy-5-methyl-s-triazin-5-ium-2-yl)sulfamoyl]benzoic acid Formula: C13H14N5O6S+ MolecularWeight: 368.34516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N=C(N=C1)N(C(=O)N)S(=O)(=O)C2=CC=CC=C2C(=O)O)OC

Isomeric SMILES

C[N+]1=C(N=C(N=C1)N(C(=O)N)S(=O)(=O)C2=CC=CC=C2C(=O)O)OC

InChI

InChI=1S/C13H13N5O6S/c1-17-7-15-12(16-13(17)24-2)18(11(14)21)25(22,23)9-6-4-3-5-8(9)10(19)20/h3-7H,1-2H3,(H2-,14,19,20,21)/p+1