butyl N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonylcarbamate

Systemtic Name: butyl N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonylcarbamate Openeye Name: butyl N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonylcarbamate CAS Name: N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonylcarbamic acid butyl ester IUPAC Name: butyl N-[4-[2-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]phenyl]sulfonylcarbamate Traditional Name: N-[4-[2-phenyl-5-(trifluoromethyl)-2-pyrazolin-3-yl]phenyl]sulfonylcarbamic acid butyl ester Formula: C21H22F3N3O4S MolecularWeight: 469.47729

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22F3N3O4S/c1-2-3-13-31-20(28)26-32(29,30)17-11-9-15(10-12-17)18-14-19(21(22,23)24)25-27(18)16-7-5-4-6-8-16/h4-12,18H,2-3,13-14H2,1H3,(H,26,28)