2,2-dimethyl-N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonyl-propanamide

Systemtic Name: 2,2-dimethyl-N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonyl-propanamide Openeye Name: 2,2-dimethyl-N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonyl-propanamide CAS Name: 2,2-dimethyl-N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonylpropanamide IUPAC Name: 2,2-dimethyl-N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonylpropanamide Traditional Name: 2,2-dimethyl-N-[4-[2-phenyl-5-(trifluoromethyl)-2-pyrazolin-3-yl]phenyl]sulfonyl-propionamide Formula: C21H22F3N3O3S MolecularWeight: 453.47789

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)NS(=O)(=O)C1=CC=C(C=C1)C2CC(=NN2C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C(=O)NS(=O)(=O)C1=CC=C(C=C1)C2CC(=NN2C3=CC=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H22F3N3O3S/c1-20(2,3)19(28)26-31(29,30)16-11-9-14(10-12-16)17-13-18(21(22,23)24)25-27(17)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,26,28)