4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzenesulfonamide

Systemtic Name: 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzenesulfonamide Openeye Name: 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitro-pyrimidin-4-yl]oxybenzenesulfonamide CAS Name: 4-[[6-[4-(2-fluorophenyl)-1-piperazinyl]-5-nitro-4-pyrimidinyl]oxy]benzenesulfonamide IUPAC Name: 4-[6-[4-(2-fluorophenyl)piperazin-1-yl]-5-nitropyrimidin-4-yl]oxybenzenesulfonamide Traditional Name: 4-[6-[4-(2-fluorophenyl)piperazino]-5-nitro-pyrimidin-4-yl]oxybenzenesulfonamide Formula: C20H19FN6O5S MolecularWeight: 474.465463

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)OC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C3=C(C(=NC=N3)OC4=CC=C(C=C4)S(=O)(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H19FN6O5S/c21-16-3-1-2-4-17(16)25-9-11-26(12-10-25)19-18(27(28)29)20(24-13-23-19)32-14-5-7-15(8-6-14)33(22,30)31/h1-8,13H,9-12H2,(H2,22,30,31)