(2-methylpyridin-4-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (2-methylpyridin-4-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (2-methyl-4-pyridyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (2-methyl-4-pyridinyl)-[4-[4-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (2-methylpyridin-4-yl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (2-methyl-4-pyridyl)-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C18H18F3N3O3S MolecularWeight: 413.41403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=NC=CC(=C1)C(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C18H18F3N3O3S/c1-13-12-14(6-7-22-13)17(25)23-8-10-24(11-9-23)28(26,27)16-4-2-15(3-5-16)18(19,20)21/h2-7,12H,8-11H2,1H3