[2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(phenylsulfonyl)pyrazol-3-yl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-pyrazol-3-yl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [4-(benzenesulfonyl)-2-tert-butyl-5-methyl-3-pyrazolyl] ester IUPAC Name: [4-(benzenesulfonyl)-2-tert-butyl-5-methylpyrazol-3-yl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid (4-besyl-2-tert-butyl-5-methyl-pyrazol-3-yl) ester Formula: C21H20ClFN2O4S MolecularWeight: 450.910903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=CC=C3Cl)F)C(C)(C)C

Isomeric SMILES

CC1=NN(C(=C1S(=O)(=O)C2=CC=CC=C2)OC(=O)C3=C(C=CC=C3Cl)F)C(C)(C)C

InChI

InChI=1S/C21H20ClFN2O4S/c1-13-18(30(27,28)14-9-6-5-7-10-14)19(25(24-13)21(2,3)4)29-20(26)17-15(22)11-8-12-16(17)23/h5-12H,1-4H3