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

Systemtic Name: 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]terephthalic acid Openeye Name: 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]terephthalic acid CAS Name: 2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]terephthalic acid IUPAC Name: 2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]terephthalic acid Traditional Name: 2-[(4-methoxy-6-methyl-s-triazin-2-yl)carbamoylsulfamoyl]terephthalic acid Formula: C14H13N5O8S MolecularWeight: 411.34672

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N5O8S/c1-6-15-12(18-14(16-6)27-2)17-13(24)19-28(25,26)9-5-7(10(20)21)3-4-8(9)11(22)23/h3-5H,1-2H3,(H,20,21)(H,22,23)(H2,15,16,17,18,19,24)