(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: (5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-fluoranyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl 4-fluoro-3-morpholinosulfonyl-benzoate CAS Name: 4-fluoro-3-(4-morpholinylsulfonyl)benzoic acid (5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl 4-fluoro-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-morpholinosulfonyl-benzoic acid (5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methyl ester Formula: C22H21ClFN3O5S MolecularWeight: 493.935643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3)Cl)C4=CC=CC=C4

InChI

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