ethyl (2S)-4-bromanyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: ethyl (2S)-4-bromanyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: ethyl (2S)-4-bromo-2-(p-tolylsulfonylamino)butanoate CAS Name: (2S)-4-bromo-2-[(4-methylphenyl)sulfonylamino]butanoic acid ethyl ester IUPAC Name: ethyl (2S)-4-bromo-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: (2S)-4-bromo-2-(tosylamino)butyric acid ethyl ester Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CCBr)NS(=O)(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCOC(=O)[C@H](CCBr)NS(=O)(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C13H18BrNO4S/c1-3-19-13(16)12(8-9-14)15-20(17,18)11-6-4-10(2)5-7-11/h4-7,12,15H,3,8-9H2,1-2H3/t12-/m0/s1