3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide

Systemtic Name: 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide Openeye Name: 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide CAS Name: 3-nitro-N-[4-(2-pyrimidinylsulfamoyl)phenyl]benzenesulfonamide IUPAC Name: 3-nitro-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzenesulfonamide Traditional Name: 3-nitro-N-[4-(2-pyrimidylsulfamoyl)phenyl]benzenesulfonamide Formula: C16H13N5O6S2 MolecularWeight: 435.43432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NC2=CC=C(C=C2)S(=O)(=O)NC3=NC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C16H13N5O6S2/c22-21(23)13-3-1-4-15(11-13)29(26,27)19-12-5-7-14(8-6-12)28(24,25)20-16-17-9-2-10-18-16/h1-11,19H,(H,17,18,20)