4-[[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide

Systemtic Name: 4-[[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[[5-nitro-6-[4-(2-pyridyl)piperazin-1-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide CAS Name: 4-[[[5-nitro-6-[4-(2-pyridinyl)-1-piperazinyl]-4-pyrimidinyl]amino]methyl]benzenesulfonamide IUPAC Name: 4-[[[5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide Traditional Name: 4-[[[5-nitro-6-[4-(2-pyridyl)piperazino]pyrimidin-4-yl]amino]methyl]benzenesulfonamide Formula: C20H22N8O4S MolecularWeight: 470.50488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=N2)C3=C(C(=NC=N3)NCC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H22N8O4S/c21-33(31,32)16-6-4-15(5-7-16)13-23-19-18(28(29)30)20(25-14-24-19)27-11-9-26(10-12-27)17-3-1-2-8-22-17/h1-8,14H,9-13H2,(H2,21,31,32)(H,23,24,25)