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

Systemtic Name: butyl N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylcarbamate Openeye Name: butyl N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylcarbamate CAS Name: N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylcarbamic acid butyl ester IUPAC Name: butyl N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylcarbamate Traditional Name: N-[4-[5-phenyl-3-(trifluoromethyl)-2-pyrazolin-1-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)N2C(CC(=N2)C(F)(F)F)C3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(CC(=N2)C(F)(F)F)C3=CC=CC=C3

InChI

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