4-fluoranyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,3-benzothiazol-2-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)carbonyl-1,3-benzothiazol-2-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide CAS Name: 4-fluoro-N-[6-[oxo-[4-(2-pyrimidinyl)-1-piperazinyl]methyl]-1,3-benzothiazol-2-yl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-1,3-benzothiazol-2-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[6-[4-(2-pyrimidyl)piperazine-1-carbonyl]-1,3-benzothiazol-2-yl]benzenesulfonamide Formula: C22H19FN6O3S2 MolecularWeight: 498.553063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)N=C(S4)NS(=O)(=O)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC4=C(C=C3)N=C(S4)NS(=O)(=O)C5=CC=C(C=C5)F

InChI

InChI=1S/C22H19FN6O3S2/c23-16-3-5-17(6-4-16)34(31,32)27-22-26-18-7-2-15(14-19(18)33-22)20(30)28-10-12-29(13-11-28)21-24-8-1-9-25-21/h1-9,14H,10-13H2,(H,26,27)