[(2R)-1-oxidanylidene-1-phenyl-propan-2-yl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-phenyl-propan-2-yl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-phenyl-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-oxo-1-phenylpropan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-phenylpropan-2-yl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [(1R)-2-keto-1-methyl-2-phenyl-ethyl] ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22FNO5S/c1-15(20(24)16-8-4-2-5-9-16)28-21(25)17-10-11-18(22)19(14-17)29(26,27)23-12-6-3-7-13-23/h2,4-5,8-11,14-15H,3,6-7,12-13H2,1H3/t15-/m1/s1