[(1R)-1-cyanoethyl] 4-bromanyl-3-(dimethylsulfamoyl)benzoate

Systemtic Name: [(1R)-1-cyanoethyl] 4-bromanyl-3-(dimethylsulfamoyl)benzoate Openeye Name: [(1R)-1-cyanoethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate CAS Name: 4-bromo-3-(dimethylsulfamoyl)benzoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 4-bromo-3-(dimethylsulfamoyl)benzoate Traditional Name: 4-bromo-3-(dimethylsulfamoyl)benzoic acid [(1R)-1-cyanoethyl] ester Formula: C12H13BrN2O4S MolecularWeight: 361.21162

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N(C)C

Isomeric SMILES

C[C@H](C#N)OC(=O)C1=CC(=C(C=C1)Br)S(=O)(=O)N(C)C

InChI

InChI=1S/C12H13BrN2O4S/c1-8(7-14)19-12(16)9-4-5-10(13)11(6-9)20(17,18)15(2)3/h4-6,8H,1-3H3/t8-/m1/s1