tert-butyl 4-[4-[[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]phenyl]sulfonylpiperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]carbonylamino]phenyl]sulfonylpiperazine-1-carboxylate Openeye Name: tert-butyl 4-[4-[[2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]sulfonylpiperazine-1-carboxylate CAS Name: 4-[4-[[[2-methyl-5-(trifluoromethyl)-3-pyrazolyl]-oxomethyl]amino]phenyl]sulfonyl-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[[2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]sulfonylpiperazine-1-carboxylate Traditional Name: 4-[4-[[2-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]phenyl]sulfonylpiperazine-1-carboxylic acid tert-butyl ester Formula: C21H26F3N5O5S MolecularWeight: 517.52185

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NN3C)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=NN3C)C(F)(F)F

InChI

InChI=1S/C21H26F3N5O5S/c1-20(2,3)34-19(31)28-9-11-29(12-10-28)35(32,33)15-7-5-14(6-8-15)25-18(30)16-13-17(21(22,23)24)26-27(16)4/h5-8,13H,9-12H2,1-4H3,(H,25,30)