[2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate

Systemtic Name: [2-oxidanylidene-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-[bis(fluoranyl)methoxy]-3-methoxy-benzoate Openeye Name: [2-oxo-2-[4-(1-piperidylsulfonyl)phenyl]ethyl] 4-(difluoromethoxy)-3-methoxy-benzoate CAS Name: 4-(difluoromethoxy)-3-methoxybenzoic acid [2-oxo-2-[4-(1-piperidinylsulfonyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylsulfonylphenyl)ethyl] 4-(difluoromethoxy)-3-methoxybenzoate Traditional Name: 4-(difluoromethoxy)-3-methoxy-benzoic acid [2-keto-2-(4-piperidinosulfonylphenyl)ethyl] ester Formula: C22H23F2NO7S MolecularWeight: 483.482326

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCCC3)OC(F)F

InChI

InChI=1S/C22H23F2NO7S/c1-30-20-13-16(7-10-19(20)32-22(23)24)21(27)31-14-18(26)15-5-8-17(9-6-15)33(28,29)25-11-3-2-4-12-25/h5-10,13,22H,2-4,11-12,14H2,1H3