[(1S)-1-(4-fluorophenyl)ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [(1S)-1-(4-fluorophenyl)ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: [(1S)-1-(4-fluorophenyl)ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid [(1S)-1-(4-fluorophenyl)ethyl] ester IUPAC Name: [(1S)-1-(4-fluorophenyl)ethyl] 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid [(1S)-1-(4-fluorophenyl)ethyl] ester Formula: C21H25FN2O4S MolecularWeight: 420.497603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)F)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)N3CCCC3

InChI

InChI=1S/C21H25FN2O4S/c1-15(16-6-8-17(22)9-7-16)28-21(25)19-14-18(29(26,27)23(2)3)10-11-20(19)24-12-4-5-13-24/h6-11,14-15H,4-5,12-13H2,1-3H3/t15-/m0/s1