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

Systemtic Name: [4-[bis(fluoranyl)methoxy]-3-methoxy-phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [4-(difluoromethoxy)-3-methoxy-phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [4-(difluoromethoxy)-3-methoxyphenyl]methyl ester IUPAC Name: [4-(difluoromethoxy)-3-methoxyphenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [4-(difluoromethoxy)-3-methoxy-benzyl] ester Formula: C20H21F2NO6S MolecularWeight: 441.445646

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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)OC(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H21F2NO6S/c1-27-18-12-14(4-9-17(18)29-20(21)22)13-28-19(24)15-5-7-16(8-6-15)30(25,26)23-10-2-3-11-23/h4-9,12,20H,2-3,10-11,13H2,1H3