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

Systemtic Name: [(2S)-1-(4-chlorophenyl)-1-oxidanylidene-propan-2-yl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1S)-2-(4-chlorophenyl)-1-methyl-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [(1S)-2-(4-chlorophenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H21ClFNO5S MolecularWeight: 453.911543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFNO5S/c1-14(20(25)15-5-8-17(22)9-6-15)29-21(26)16-7-10-18(23)19(13-16)30(27,28)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3/t14-/m0/s1