[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid (2-keto-2-mesidino-ethyl) ester Formula: C23H27FN2O5S MolecularWeight: 462.534283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3)C

InChI

InChI=1S/C23H27FN2O5S/c1-15-11-16(2)22(17(3)12-15)25-21(27)14-31-23(28)18-7-8-19(24)20(13-18)32(29,30)26-9-5-4-6-10-26/h7-8,11-13H,4-6,9-10,14H2,1-3H3,(H,25,27)