2-(3-bromanylphenoxy)ethyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate Openeye Name: 2-(3-bromophenoxy)ethyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-yl-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(1-pyrrolidinyl)benzoic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 5-(dimethylsulfamoyl)-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-pyrrolidino-benzoic acid 2-(3-bromophenoxy)ethyl ester Formula: C21H25BrN2O5S MolecularWeight: 497.4026

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCCOC3=CC(=CC=C3)Br

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCCC2)C(=O)OCCOC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H25BrN2O5S/c1-23(2)30(26,27)18-8-9-20(24-10-3-4-11-24)19(15-18)21(25)29-13-12-28-17-7-5-6-16(22)14-17/h5-9,14-15H,3-4,10-13H2,1-2H3