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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C22H21ClFN3O5S MolecularWeight: 493.935643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=CC(=CC=C2)S(=O)(=O)N3CCOCC3)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21ClFN3O5S/c1-15-20(21(23)27(25-15)18-7-5-17(24)6-8-18)22(28)32-14-16-3-2-4-19(13-16)33(29,30)26-9-11-31-12-10-26/h2-8,13H,9-12,14H2,1H3