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

Systemtic Name: 4-(cyanomethyl)-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 4-(cyanomethyl)-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 4-(cyanomethyl)-2-[[[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 4-(cyanomethyl)-2-[(4-methoxy-6-methyl-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 4-(cyanomethyl)-2-[(4-methoxy-6-methyl-s-triazin-2-yl)carbamoylsulfamoyl]benzoic acid Formula: C15H14N6O6S MolecularWeight: 406.37326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N6O6S/c1-8-17-13(20-15(18-8)27-2)19-14(24)21-28(25,26)11-7-9(5-6-16)3-4-10(11)12(22)23/h3-4,7H,5H2,1-2H3,(H,22,23)(H2,17,18,19,20,21,24)