[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [4-(difluoromethoxy)-3-methoxy-phenyl]methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [4-(difluoromethoxy)-3-methoxyphenyl]methyl ester IUPAC Name: [4-(difluoromethoxy)-3-methoxyphenyl]methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [4-(difluoromethoxy)-3-methoxy-benzyl] ester Formula: C20H22F2N2O6S MolecularWeight: 456.460286

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)OC(F)F

Isomeric SMILES

COC1=C(C=CC(=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3)OC(F)F

InChI

InChI=1S/C20H22F2N2O6S/c1-28-18-11-14(4-5-17(18)30-20(21)22)13-29-19(25)15-6-9-24(10-7-15)31(26,27)16-3-2-8-23-12-16/h2-5,8,11-12,15,20H,6-7,9-10,13H2,1H3