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

Systemtic Name: [(2R)-1-(4-fluorophenyl)-1-oxidanylidene-propan-2-yl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [(1R)-2-(4-fluorophenyl)-1-methyl-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [(1R)-2-(4-fluorophenyl)-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)F)OC(=O)C2=CC(=C(C=C2)Cl)S(=O)(=O)N3CCCCC3

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClFNO5S/c1-14(20(25)15-5-8-17(23)9-6-15)29-21(26)16-7-10-18(22)19(13-16)30(27,28)24-11-3-2-4-12-24/h5-10,13-14H,2-4,11-12H2,1H3/t14-/m1/s1