[2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 4-methyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2,5-difluorophenyl)-2-oxo-ethyl] 4-methyl-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-methyl-3-(1-piperidinylsulfonyl)benzoic acid [2-(2,5-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-difluorophenyl)-2-oxoethyl] 4-methyl-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-methyl-3-piperidinosulfonyl-benzoic acid [2-(2,5-difluorophenyl)-2-keto-ethyl] ester Formula: C21H21F2NO5S MolecularWeight: 437.456946

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C=CC(=C2)F)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=C(C=CC(=C2)F)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H21F2NO5S/c1-14-5-6-15(11-20(14)30(27,28)24-9-3-2-4-10-24)21(26)29-13-19(25)17-12-16(22)7-8-18(17)23/h5-8,11-12H,2-4,9-10,13H2,1H3