[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [2-(4-fluorophenyl)-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=C(C=C3)F)Cl

Isomeric SMILES

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

InChI

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