[(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [(1R)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [(1R)-2-(4-fluorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H22FNO5S MolecularWeight: 419.466483

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@H](C(=O)C1=CC=C(C=C1)F)OC(=O)C2=CC=CC=C2S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22FNO5S/c1-15(20(24)16-9-11-17(22)12-10-16)28-21(25)18-7-3-4-8-19(18)29(26,27)23-13-5-2-6-14-23/h3-4,7-12,15H,2,5-6,13-14H2,1H3/t15-/m1/s1