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

Systemtic Name: 2-[(4-ethynyl-6-methoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[(4-ethynyl-6-methoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[(4-ethynyl-6-methoxy-1,3,5-triazin-2-yl)amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[(4-ethynyl-6-methoxy-1,3,5-triazin-2-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[(4-ethynyl-6-methoxy-s-triazin-2-yl)carbamoylsulfamoyl]benzoic acid Formula: C14H11N5O6S MolecularWeight: 377.33204

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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)C#C

Isomeric SMILES

COC1=NC(=NC(=N1)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O)C#C

InChI

InChI=1S/C14H11N5O6S/c1-3-10-15-12(18-14(16-10)25-2)17-13(22)19-26(23,24)9-7-5-4-6-8(9)11(20)21/h1,4-7H,2H3,(H,20,21)(H2,15,16,17,18,19,22)