N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-(trifluoromethyloxy)benzenesulfonamide

Systemtic Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-(trifluoromethyloxy)benzenesulfonamide Openeye Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide CAS Name: N-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-3-(trifluoromethoxy)benzenesulfonamide IUPAC Name: N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-3-(trifluoromethoxy)benzenesulfonamide Traditional Name: N-[3-[4-(2-pyrimidyl)piperazino]propyl]-3-(trifluoromethoxy)benzenesulfonamide Formula: C18H22F3N5O3S MolecularWeight: 445.45919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCNS(=O)(=O)C2=CC=CC(=C2)OC(F)(F)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CCN1CCCNS(=O)(=O)C2=CC=CC(=C2)OC(F)(F)F)C3=NC=CC=N3

InChI

InChI=1S/C18H22F3N5O3S/c19-18(20,21)29-15-4-1-5-16(14-15)30(27,28)24-8-3-9-25-10-12-26(13-11-25)17-22-6-2-7-23-17/h1-2,4-7,14,24H,3,8-13H2