1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-methylsulfonyl-propan-1-one

Systemtic Name: 1-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-methylsulfonyl-propan-1-one Openeye Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-yl]-2-methylsulfonyl-propan-1-one CAS Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazinyl]-2-methylsulfonyl-1-propanone IUPAC Name: 1-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-yl]-2-methylsulfonylpropan-1-one Traditional Name: 1-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazino]-2-mesyl-propan-1-one Formula: C14H17ClF3N3O3S MolecularWeight: 399.81629

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)S(=O)(=O)C

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=C(C=C(C=N2)C(F)(F)F)Cl)S(=O)(=O)C

InChI

InChI=1S/C14H17ClF3N3O3S/c1-9(25(2,23)24)13(22)21-5-3-20(4-6-21)12-11(15)7-10(8-19-12)14(16,17)18/h7-9H,3-6H2,1-2H3