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

Systemtic Name: [4-[bis(fluoranyl)methoxy]-3-chloranyl-5-methoxy-phenyl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [3-chloro-4-(difluoromethoxy)-5-methoxy-phenyl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl ester IUPAC Name: [3-chloro-4-(difluoromethoxy)-5-methoxyphenyl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-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(=CC=C2)S(=O)(=O)N3CCCC3)Cl)OC(F)F

Isomeric SMILES

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

InChI

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