3-pyridin-3-ylpropyl 2-bromanyl-5-(dimethylsulfamoyl)benzoate

Systemtic Name: 3-pyridin-3-ylpropyl 2-bromanyl-5-(dimethylsulfamoyl)benzoate Openeye Name: 3-(3-pyridyl)propyl 2-bromo-5-(dimethylsulfamoyl)benzoate CAS Name: 2-bromo-5-(dimethylsulfamoyl)benzoic acid 3-(3-pyridinyl)propyl ester IUPAC Name: 3-pyridin-3-ylpropyl 2-bromo-5-(dimethylsulfamoyl)benzoate Traditional Name: 2-bromo-5-(dimethylsulfamoyl)benzoic acid 3-(3-pyridyl)propyl ester Formula: C17H19BrN2O4S MolecularWeight: 427.31276

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)OCCCC2=CN=CC=C2

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)OCCCC2=CN=CC=C2

InChI

InChI=1S/C17H19BrN2O4S/c1-20(2)25(22,23)14-7-8-16(18)15(11-14)17(21)24-10-4-6-13-5-3-9-19-12-13/h3,5,7-9,11-12H,4,6,10H2,1-2H3