[4-[bis(fluoranyl)methoxy]-3-chloranyl-5-methoxy-phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate

Systemtic Name: [4-[bis(fluoranyl)methoxy]-3-chloranyl-5-methoxy-phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [3-chloro-4-(difluoromethoxy)-5-methoxy-phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl ester IUPAC Name: [3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [3-chloro-4-(difluoromethoxy)-5-methoxy-benzyl] ester Formula: C20H20ClF2NO6S MolecularWeight: 475.890706

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl)OC(F)F

Isomeric SMILES

COC1=C(C(=CC(=C1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)Cl)OC(F)F

InChI

InChI=1S/C20H20ClF2NO6S/c1-28-17-11-13(10-16(21)18(17)30-20(22)23)12-29-19(25)14-4-6-15(7-5-14)31(26,27)24-8-2-3-9-24/h4-7,10-11,20H,2-3,8-9,12H2,1H3