(3-fluoranyl-4-methoxy-phenyl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=CC(=C(C=C3)OC)F

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C21H25FN2O5S/c1-23(2)30(26,27)16-7-8-19(24-10-4-5-11-24)17(13-16)21(25)29-14-15-6-9-20(28-3)18(22)12-15/h6-9,12-13H,4-5,10-11,14H2,1-3H3