(3-morpholin-4-ylsulfonylphenyl)methyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3-(4-methylphenyl)-4-pyrazolecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-(4-fluorophenyl)-3-(4-methylphenyl)pyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3-(p-tolyl)pyrazole-4-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C28H26FN3O5S MolecularWeight: 535.586543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=C(C=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4)C5=CC=C(C=C5)F

InChI

InChI=1S/C28H26FN3O5S/c1-20-5-7-22(8-6-20)27-26(18-32(30-27)24-11-9-23(29)10-12-24)28(33)37-19-21-3-2-4-25(17-21)38(34,35)31-13-15-36-16-14-31/h2-12,17-18H,13-16,19H2,1H3