(4-tert-butylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-tert-butylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-tert-butylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid (4-tert-butylphenyl) ester Formula: C22H26FNO4S MolecularWeight: 419.509543

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H26FNO4S/c1-22(2,3)17-4-8-19(9-5-17)28-21(25)16-12-14-24(15-13-16)29(26,27)20-10-6-18(23)7-11-20/h4-11,16H,12-15H2,1-3H3