4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxybenzenesulfonamide

Systemtic Name: 4-[5-nitro-6-[4-(phenylmethyl)piperazin-1-yl]pyrimidin-4-yl]oxybenzenesulfonamide Openeye Name: 4-[6-(4-benzylpiperazin-1-yl)-5-nitro-pyrimidin-4-yl]oxybenzenesulfonamide CAS Name: 4-[[5-nitro-6-[4-(phenylmethyl)-1-piperazinyl]-4-pyrimidinyl]oxy]benzenesulfonamide IUPAC Name: 4-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]oxybenzenesulfonamide Traditional Name: 4-[6-(4-benzylpiperazino)-5-nitro-pyrimidin-4-yl]oxybenzenesulfonamide Formula: C21H22N6O5S MolecularWeight: 470.50158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=C(C(=NC=N3)OC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C21H22N6O5S/c22-33(30,31)18-8-6-17(7-9-18)32-21-19(27(28)29)20(23-15-24-21)26-12-10-25(11-13-26)14-16-4-2-1-3-5-16/h1-9,15H,10-14H2,(H2,22,30,31)