phenyl-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]methanesulfonic acid

Systemtic Name: phenyl-[[4-(pyrimidin-2-ylsulfamoyl)phenyl]amino]methanesulfonic acid Openeye Name: phenyl-[4-(pyrimidin-2-ylsulfamoyl)anilino]methanesulfonic acid CAS Name: phenyl-[4-(2-pyrimidinylsulfamoyl)anilino]methanesulfonic acid IUPAC Name: phenyl-[4-(pyrimidin-2-ylsulfamoyl)anilino]methanesulfonic acid Traditional Name: phenyl-[4-(2-pyrimidylsulfamoyl)anilino]methanesulfonic acid Formula: C17H16N4O5S2 MolecularWeight: 420.46274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)S(=O)(=O)O

InChI

InChI=1S/C17H16N4O5S2/c22-27(23,21-17-18-11-4-12-19-17)15-9-7-14(8-10-15)20-16(28(24,25)26)13-5-2-1-3-6-13/h1-12,16,20H,(H,18,19,21)(H,24,25,26)