(3,5-dimethylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3,5-dimethylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3,5-dimethylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (3,5-dimethylphenyl) ester IUPAC Name: (3,5-dimethylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid (3,5-dimethylphenyl) ester Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C

InChI

InChI=1S/C20H22FNO4S/c1-14-11-15(2)13-18(12-14)26-20(23)16-7-9-22(10-8-16)27(24,25)19-5-3-17(21)4-6-19/h3-6,11-13,16H,7-10H2,1-2H3