5-[(2,6-dimethylpiperidin-1-yl)amino]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

Systemtic Name: 5-[(2,6-dimethylpiperidin-1-yl)amino]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Openeye Name: 5-[(2,6-dimethyl-1-piperidyl)amino]-1-(5-methylsulfonyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile CAS Name: 5-[(2,6-dimethyl-1-piperidinyl)amino]-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)-4-pyrazolecarbonitrile IUPAC Name: 5-[(2,6-dimethylpiperidin-1-yl)amino]-1-(5-methylsulfonylpyridin-2-yl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Traditional Name: 5-[(2,6-dimethylpiperidino)amino]-1-(5-mesyl-2-pyridyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile Formula: C18H21F3N6O2S MolecularWeight: 442.45855

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(N1NC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N)C

Isomeric SMILES

CC1CCCC(N1NC2=C(C(=NN2C3=NC=C(C=C3)S(=O)(=O)C)C(F)(F)F)C#N)C

InChI

InChI=1S/C18H21F3N6O2S/c1-11-5-4-6-12(2)26(11)25-17-14(9-22)16(18(19,20)21)24-27(17)15-8-7-13(10-23-15)30(3,28)29/h7-8,10-12,25H,4-6H2,1-3H3