[4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl 4-chloranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [4-(difluoromethoxy)-3-methoxy-phenyl]methyl 4-chloro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-chloro-3-(1-piperidinylsulfonyl)benzoic acid [4-(difluoromethoxy)-3-methoxyphenyl]methyl ester IUPAC Name: [4-(difluoromethoxy)-3-methoxyphenyl]methyl 4-chloro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-piperidinosulfonyl-benzoic acid [4-(difluoromethoxy)-3-methoxy-benzyl] ester Formula: C21H22ClF2NO6S MolecularWeight: 489.917286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClF2NO6S/c1-29-18-11-14(5-8-17(18)31-21(23)24)13-30-20(26)15-6-7-16(22)19(12-15)32(27,28)25-9-3-2-4-10-25/h5-8,11-12,21H,2-4,9-10,13H2,1H3