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

Systemtic Name: 4-bromanylbutyl N-[4-[3-phenyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenyl]sulfonylcarbamate Openeye Name: 4-bromobutyl 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 4-bromobutyl ester IUPAC Name: 4-bromobutyl 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 4-bromobutyl ester Formula: C21H21BrF3N3O4S MolecularWeight: 548.37335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)NC(=O)OCCCCBr)C3=CC=CC=C3

Isomeric SMILES

C1C(N(N=C1C(F)(F)F)C2=CC=C(C=C2)S(=O)(=O)NC(=O)OCCCCBr)C3=CC=CC=C3

InChI

InChI=1S/C21H21BrF3N3O4S/c22-12-4-5-13-32-20(29)27-33(30,31)17-10-8-16(9-11-17)28-18(15-6-2-1-3-7-15)14-19(26-28)21(23,24)25/h1-3,6-11,18H,4-5,12-14H2,(H,27,29)