N-[3,5-bis(trifluoromethyl)phenyl]-3-tert-butyl-1-(phenylmethyl)pyrazole-4-sulfonamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-tert-butyl-1-(phenylmethyl)pyrazole-4-sulfonamide Openeye Name: 1-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]-3-tert-butyl-pyrazole-4-sulfonamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-3-tert-butyl-1-(phenylmethyl)-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]-3-tert-butylpyrazole-4-sulfonamide Traditional Name: 1-benzyl-N-[3,5-bis(trifluoromethyl)phenyl]-3-tert-butyl-pyrazole-4-sulfonamide Formula: C22H21F6N3O2S MolecularWeight: 505.476459

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F6N3O2S/c1-20(2,3)19-18(13-31(29-19)12-14-7-5-4-6-8-14)34(32,33)30-17-10-15(21(23,24)25)9-16(11-17)22(26,27)28/h4-11,13,30H,12H2,1-3H3