[(1S)-1-cyanoethyl] 2-bromanyl-5-(propan-2-ylsulfamoyl)benzoate

Systemtic Name: [(1S)-1-cyanoethyl] 2-bromanyl-5-(propan-2-ylsulfamoyl)benzoate Openeye Name: [(1S)-1-cyanoethyl] 2-bromo-5-(isopropylsulfamoyl)benzoate CAS Name: 2-bromo-5-(propan-2-ylsulfamoyl)benzoic acid [(1S)-1-cyanoethyl] ester IUPAC Name: [(1S)-1-cyanoethyl] 2-bromo-5-(propan-2-ylsulfamoyl)benzoate Traditional Name: 2-bromo-5-(isopropylsulfamoyl)benzoic acid [(1S)-1-cyanoethyl] ester Formula: C13H15BrN2O4S MolecularWeight: 375.2382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15BrN2O4S/c1-8(2)16-21(18,19)10-4-5-12(14)11(6-10)13(17)20-9(3)7-15/h4-6,8-9,16H,1-3H3/t9-/m0/s1