4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxybenzenesulfonamide

Systemtic Name: 4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxybenzenesulfonamide Openeye Name: 4-[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]oxybenzenesulfonamide CAS Name: 4-[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]oxy]benzenesulfonamide IUPAC Name: 4-[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]oxybenzenesulfonamide Traditional Name: 4-[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]oxybenzenesulfonamide Formula: C19H19N7O5S MolecularWeight: 457.46306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)OC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)OC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C19H19N7O5S/c20-32(29,30)15-6-4-14(5-7-15)31-19-17(26(27)28)18(22-13-23-19)25-11-9-24(10-12-25)16-3-1-2-8-21-16/h1-8,13H,9-12H2,(H2,20,29,30)