[2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2-(4-fluorophenyl)ethanoate

Systemtic Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-pyrazol-3-yl] 2-(4-fluorophenyl)ethanoate Openeye Name: [2-tert-butyl-5-methyl-4-(p-tolylsulfonyl)pyrazol-3-yl] 2-(4-fluorophenyl)acetate CAS Name: 2-(4-fluorophenyl)acetic acid [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonyl-3-pyrazolyl] ester IUPAC Name: [2-tert-butyl-5-methyl-4-(4-methylphenyl)sulfonylpyrazol-3-yl] 2-(4-fluorophenyl)acetate Traditional Name: 2-(4-fluorophenyl)acetic acid (2-tert-butyl-5-methyl-4-tosyl-pyrazol-3-yl) ester Formula: C23H25FN2O4S MolecularWeight: 444.519003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=C(N(N=C2C)C(C)(C)C)OC(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C23H25FN2O4S/c1-15-6-12-19(13-7-15)31(28,29)21-16(2)25-26(23(3,4)5)22(21)30-20(27)14-17-8-10-18(24)11-9-17/h6-13H,14H2,1-5H3