(2,3,5-trimethylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2,3,5-trimethylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2,3,5-trimethylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid (2,3,5-trimethylphenyl) ester IUPAC Name: (2,3,5-trimethylphenyl) 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid (2,3,5-trimethylphenyl) ester Formula: C21H24FNO4S MolecularWeight: 405.482963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24FNO4S/c1-14-12-15(2)16(3)20(13-14)27-21(24)17-8-10-23(11-9-17)28(25,26)19-6-4-18(22)5-7-19/h4-7,12-13,17H,8-11H2,1-3H3