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

Systemtic Name: [2-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(difluoromethoxy)-3-ethoxy-phenyl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-(difluoromethoxy)-3-ethoxyphenyl]methyl ester IUPAC Name: [2-(difluoromethoxy)-3-ethoxyphenyl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-(difluoromethoxy)-3-ethoxy-benzyl] ester Formula: C21H23F2NO6S MolecularWeight: 455.472226

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OC(F)F)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CCOC1=CC=CC(=C1OC(F)F)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H23F2NO6S/c1-2-28-18-10-6-8-16(19(18)30-21(22)23)14-29-20(25)15-7-5-9-17(13-15)31(26,27)24-11-3-4-12-24/h5-10,13,21H,2-4,11-12,14H2,1H3