1-(4-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide

Systemtic Name: 1-(4-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Openeye Name: N-(1-methylsulfonyl-4-piperidyl)-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide CAS Name: 1-(4-methylphenyl)-N-(1-methylsulfonyl-4-piperidinyl)-5-(trifluoromethyl)-4-pyrazolecarboxamide IUPAC Name: 1-(4-methylphenyl)-N-(1-methylsulfonylpiperidin-4-yl)-5-(trifluoromethyl)pyrazole-4-carboxamide Traditional Name: N-(1-mesyl-4-piperidyl)-1-(p-tolyl)-5-(trifluoromethyl)pyrazole-4-carboxamide Formula: C18H21F3N4O3S MolecularWeight: 430.44455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3CCN(CC3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)NC3CCN(CC3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C18H21F3N4O3S/c1-12-3-5-14(6-4-12)25-16(18(19,20)21)15(11-22-25)17(26)23-13-7-9-24(10-8-13)29(2,27)28/h3-6,11,13H,7-10H2,1-2H3,(H,23,26)