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

Systemtic Name: [4-[bis(fluoranyl)methoxy]-3-ethoxy-phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [4-(difluoromethoxy)-3-ethoxy-phenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [4-(difluoromethoxy)-3-ethoxyphenyl]methyl ester IUPAC Name: [4-(difluoromethoxy)-3-ethoxyphenyl]methyl 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [4-(difluoromethoxy)-3-ethoxy-benzyl] ester Formula: C21H23F2NO6S MolecularWeight: 455.472226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC(F)F

Isomeric SMILES

CCOC1=C(C=CC(=C1)COC(=O)C2=CC=C(C=C2)S(=O)(=O)N3CCCC3)OC(F)F

InChI

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