3-tert-butyl-N-[4-fluoranyl-3-(trifluoromethyl)phenyl]-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: 3-tert-butyl-N-[4-fluoranyl-3-(trifluoromethyl)phenyl]-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]pyrazole-4-sulfonamide Formula: C21H21F4N3O2S MolecularWeight: 455.468953

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=CC(=C(C=C2)F)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=NN(C=C1S(=O)(=O)NC2=CC(=C(C=C2)F)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C21H21F4N3O2S/c1-20(2,3)19-18(13-28(26-19)12-14-7-5-4-6-8-14)31(29,30)27-15-9-10-17(22)16(11-15)21(23,24)25/h4-11,13,27H,12H2,1-3H3