[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-piperidinecarboxylic acid [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,5-trimethylphenyl)ethyl] 1-(4-fluorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylisonipecotic acid [2-keto-2-(2,4,5-trimethylphenyl)ethyl] ester Formula: C23H26FNO5S MolecularWeight: 447.519643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F)C)C

InChI

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