[2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(4-fluorophenyl)-2-oxidanylidene-ethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(4-fluorophenyl)-2-oxo-ethyl] 2-morpholino-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-(4-morpholinyl)-5-(1-piperidinylsulfonyl)benzoic acid [2-(4-fluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-fluorophenyl)-2-oxoethyl] 2-morpholin-4-yl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-morpholino-5-piperidinosulfonyl-benzoic acid [2-(4-fluorophenyl)-2-keto-ethyl] ester Formula: C24H27FN2O6S MolecularWeight: 490.544383

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)N3CCOCC3)C(=O)OCC(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H27FN2O6S/c25-19-6-4-18(5-7-19)23(28)17-33-24(29)21-16-20(34(30,31)27-10-2-1-3-11-27)8-9-22(21)26-12-14-32-15-13-26/h4-9,16H,1-3,10-15,17H2