[2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,6-trimethylphenyl)ethyl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 1-(2-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-fluorophenyl)sulfonylisonipecotic acid (2-keto-2-mesityl-ethyl) ester Formula: C23H26FNO5S MolecularWeight: 447.519643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F)C

InChI

InChI=1S/C23H26FNO5S/c1-15-12-16(2)22(17(3)13-15)20(26)14-30-23(27)18-8-10-25(11-9-18)31(28,29)21-7-5-4-6-19(21)24/h4-7,12-13,18H,8-11,14H2,1-3H3