(4-methyl-3-methylsulfonyl-phenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone

Systemtic Name: (4-methyl-3-methylsulfonyl-phenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Openeye Name: (4-methyl-3-methylsulfonyl-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]methanone CAS Name: (4-methyl-3-methylsulfonylphenyl)-[4-[5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]methanone IUPAC Name: (4-methyl-3-methylsulfonylphenyl)-[4-[5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]methanone Traditional Name: (3-mesyl-4-methyl-phenyl)-[4-[5-(trifluoromethyl)-2-pyridyl]piperazino]methanone Formula: C19H20F3N3O3S MolecularWeight: 427.44061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20F3N3O3S/c1-13-3-4-14(11-16(13)29(2,27)28)18(26)25-9-7-24(8-10-25)17-6-5-15(12-23-17)19(20,21)22/h3-6,11-12H,7-10H2,1-2H3