(6-methylpyridin-3-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone

Systemtic Name: (6-methylpyridin-3-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Openeye Name: (6-methyl-3-pyridyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone CAS Name: (6-methyl-3-pyridinyl)-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methanone IUPAC Name: (6-methylpyridin-3-yl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]methanone Traditional Name: (6-methyl-3-pyridyl)-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]methanone Formula: C18H18F3N3O3S MolecularWeight: 413.41403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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