(4-pyrazol-1-ylphenyl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid (4-pyrazol-1-ylbenzyl) ester Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CC=C(C=C3)N4C=CC=N4)F

InChI

InChI=1S/C22H22FN3O4S/c23-20-10-7-18(15-21(20)31(28,29)25-12-2-1-3-13-25)22(27)30-16-17-5-8-19(9-6-17)26-14-4-11-24-26/h4-11,14-15H,1-3,12-13,16H2