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

Systemtic Name: [2-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-(difluoromethoxy)-3-ethoxy-phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-(difluoromethoxy)-3-ethoxyphenyl]methyl ester IUPAC Name: [2-(difluoromethoxy)-3-ethoxyphenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-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=C(C=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

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

InChI

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