(3-morpholin-4-ylsulfonylphenyl)methyl 1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxylate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-3,5-dimethyl-4-pyrazolecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carboxylate Traditional Name: 1-(4-fluorophenyl)-3,5-dimethyl-pyrazole-4-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C23H24FN3O5S MolecularWeight: 473.517163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CC1=C(C(=NN1C2=CC=C(C=C2)F)C)C(=O)OCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C23H24FN3O5S/c1-16-22(17(2)27(25-16)20-8-6-19(24)7-9-20)23(28)32-15-18-4-3-5-21(14-18)33(29,30)26-10-12-31-13-11-26/h3-9,14H,10-13,15H2,1-2H3