(4-pyrazol-1-ylphenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid (4-pyrazol-1-ylbenzyl) ester Formula: C23H22F3N3O4S MolecularWeight: 493.49869

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)OCC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C23H22F3N3O4S/c24-23(25,26)20-4-1-2-5-21(20)34(31,32)28-14-10-18(11-15-28)22(30)33-16-17-6-8-19(9-7-17)29-13-3-12-27-29/h1-9,12-13,18H,10-11,14-16H2