3-(1H-benzimidazol-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one

Systemtic Name: 3-(1H-benzimidazol-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(1H-benzimidazol-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(1H-benzimidazol-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(1H-benzimidazol-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(1H-benzimidazol-2-yl)-1-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]propan-1-one Formula: C21H21F3N4O3S MolecularWeight: 466.47665

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)CCC2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O3S/c22-21(23,24)15-4-3-5-16(14-15)32(30,31)28-12-10-27(11-13-28)20(29)9-8-19-25-17-6-1-2-7-18(17)26-19/h1-7,14H,8-13H2,(H,25,26)