[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-[bis(fluoranyl)methoxy]benzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-[bis(fluoranyl)methoxy]benzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 4-(difluoromethoxy)benzoate CAS Name: 4-(difluoromethoxy)benzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-(difluoromethoxy)benzoate Traditional Name: 4-(difluoromethoxy)benzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C21H21F2NO6S MolecularWeight: 453.456346

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)OC(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)COC(=O)C3=CC=C(C=C3)OC(F)F

InChI

InChI=1S/C21H21F2NO6S/c22-21(23)30-17-8-4-16(5-9-17)20(26)29-14-19(25)15-6-10-18(11-7-15)31(27,28)24-12-2-1-3-13-24/h4-11,21H,1-3,12-14H2