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

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Openeye Name: (3-morpholinosulfonylphenyl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate CAS Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylate Traditional Name: 3-(4-fluorophenyl)-1H-pyrazole-5-carboxylic acid (3-morpholinosulfonylbenzyl) ester Formula: C21H20FN3O5S MolecularWeight: 445.464003

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)F

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=CC(=NN3)C4=CC=C(C=C4)F

InChI

InChI=1S/C21H20FN3O5S/c22-17-6-4-16(5-7-17)19-13-20(24-23-19)21(26)30-14-15-2-1-3-18(12-15)31(27,28)25-8-10-29-11-9-25/h1-7,12-13H,8-11,14H2,(H,23,24)