[2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(3-chlorophenyl)-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3-chlorophenyl)-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-(3-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chlorophenyl)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-(3-chlorophenyl)-2-keto-ethyl] ester Formula: C20H19ClFNO5S MolecularWeight: 439.884963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC(=CC=C3)Cl)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)C3=CC(=CC=C3)Cl)F

InChI

InChI=1S/C20H19ClFNO5S/c21-16-6-4-5-14(11-16)18(24)13-28-20(25)15-7-8-17(22)19(12-15)29(26,27)23-9-2-1-3-10-23/h4-8,11-12H,1-3,9-10,13H2