phenacyl 2-chloranyl-4-fluoranyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: phenacyl 2-chloranyl-4-fluoranyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: phenacyl 2-chloro-4-fluoro-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-chloro-4-fluoro-5-(1-piperidinylsulfonyl)benzoic acid phenacyl ester IUPAC Name: phenacyl 2-chloro-4-fluoro-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-4-fluoro-5-piperidinosulfonyl-benzoic acid phenacyl ester Formula: C20H19ClFNO5S MolecularWeight: 439.884963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClFNO5S/c21-16-12-17(22)19(29(26,27)23-9-5-2-6-10-23)11-15(16)20(25)28-13-18(24)14-7-3-1-4-8-14/h1,3-4,7-8,11-12H,2,5-6,9-10,13H2