[2-[4-[bis(fluoranyl)methoxy]phenyl]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-[4-[bis(fluoranyl)methoxy]phenyl]-2-oxidanylidene-ethyl] 4-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-[4-(difluoromethoxy)phenyl]-2-oxo-ethyl] 4-(1-piperidylsulfonyl)benzoate CAS Name: 4-(1-piperidinylsulfonyl)benzoic acid [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 4-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-piperidinosulfonylbenzoic acid [2-[4-(difluoromethoxy)phenyl]-2-keto-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)OCC(=O)C3=CC=C(C=C3)OC(F)F

Isomeric SMILES

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

InChI

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