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

Systemtic Name: 3-tert-butyl-1-(phenylmethyl)-N-[4-(trifluoromethyloxy)phenyl]pyrazole-4-sulfonamide Openeye Name: 1-benzyl-3-tert-butyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide CAS Name: 3-tert-butyl-1-(phenylmethyl)-N-[4-(trifluoromethoxy)phenyl]-4-pyrazolesulfonamide IUPAC Name: 1-benzyl-3-tert-butyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide Traditional Name: 1-benzyl-3-tert-butyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-sulfonamide Formula: C21H22F3N3O3S MolecularWeight: 453.47789

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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