3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide

Systemtic Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide Openeye Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide CAS Name: 3-[(4-ethylsulfonyl-1-piperazinyl)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide IUPAC Name: 3-[(4-ethylsulfonylpiperazin-1-yl)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide Traditional Name: 3-[(4-esylpiperazino)methyl]-N-[2-(trifluoromethyl)phenyl]benzamide Formula: C21H24F3N3O3S MolecularWeight: 455.49377

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCS(=O)(=O)N1CCN(CC1)CC2=CC=CC(=C2)C(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H24F3N3O3S/c1-2-31(29,30)27-12-10-26(11-13-27)15-16-6-5-7-17(14-16)20(28)25-19-9-4-3-8-18(19)21(22,23)24/h3-9,14H,2,10-13,15H2,1H3,(H,25,28)