[2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-(5-fluoranyl-2-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(5-fluoro-2-methoxy-phenyl)-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-(5-fluoro-2-methoxy-phenyl)-2-keto-ethyl] ester Formula: C22H24FNO6S MolecularWeight: 449.492463

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)C3=C(C=CC(=C3)F)OC

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)C3=C(C=CC(=C3)F)OC

InChI

InChI=1S/C22H24FNO6S/c1-15-6-8-17(31(27,28)24-10-4-3-5-11-24)13-18(15)22(26)30-14-20(25)19-12-16(23)7-9-21(19)29-2/h6-9,12-13H,3-5,10-11,14H2,1-2H3