2-[(6-ethynyl-4-methyl-2H-pyrimidin-1-yl)carbamoylsulfamoyl]benzoic acid

Systemtic Name: 2-[(6-ethynyl-4-methyl-2H-pyrimidin-1-yl)carbamoylsulfamoyl]benzoic acid Openeye Name: 2-[(6-ethynyl-4-methyl-2H-pyrimidin-1-yl)carbamoylsulfamoyl]benzoic acid CAS Name: 2-[[[(6-ethynyl-4-methyl-2H-pyrimidin-1-yl)amino]-oxomethyl]sulfamoyl]benzoic acid IUPAC Name: 2-[(6-ethynyl-4-methyl-2H-pyrimidin-1-yl)carbamoylsulfamoyl]benzoic acid Traditional Name: 2-[(6-ethynyl-4-methyl-2H-pyrimidin-1-yl)carbamoylsulfamoyl]benzoic acid Formula: C15H14N4O5S MolecularWeight: 362.36046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NCN(C(=C1)C#C)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O

Isomeric SMILES

CC1=NCN(C(=C1)C#C)NC(=O)NS(=O)(=O)C2=CC=CC=C2C(=O)O

InChI

InChI=1S/C15H14N4O5S/c1-3-11-8-10(2)16-9-19(11)17-15(22)18-25(23,24)13-7-5-4-6-12(13)14(20)21/h1,4-8H,9H2,2H3,(H,20,21)(H2,17,18,22)