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

Systemtic Name: [2-[3,4-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 2-methyl-5-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(3,4-difluorophenyl)-2-oxo-ethyl] 2-methyl-5-(1-piperidylsulfonyl)benzoate CAS Name: 2-methyl-5-(1-piperidinylsulfonyl)benzoic acid [2-(3,4-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-difluorophenyl)-2-oxoethyl] 2-methyl-5-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-methyl-5-piperidinosulfonyl-benzoic acid [2-(3,4-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)S(=O)(=O)N2CCCCC2)C(=O)OCC(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

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

InChI

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