(4-cyano-2-fluoranyl-phenyl)methyl 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: (4-cyano-2-fluoro-phenyl)methyl 5-(diethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(diethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid (4-cyano-2-fluorophenyl)methyl ester IUPAC Name: (4-cyano-2-fluorophenyl)methyl 5-(diethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(diethylsulfamoyl)-2-pyrrolidino-benzoic acid (4-cyano-2-fluoro-benzyl) ester Formula: C23H26FN3O4S MolecularWeight: 459.533643

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=C(C=C(C=C3)C#N)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCC3=C(C=C(C=C3)C#N)F

InChI

InChI=1S/C23H26FN3O4S/c1-3-27(4-2)32(29,30)19-9-10-22(26-11-5-6-12-26)20(14-19)23(28)31-16-18-8-7-17(15-25)13-21(18)24/h7-10,13-14H,3-6,11-12,16H2,1-2H3