ethyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: ethyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: ethyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid ethyl ester IUPAC Name: ethyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid ethyl ester Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18BrNO4S/c1-4-19-13(16)12(9(2)3)15-20(17,18)11-7-5-10(14)6-8-11/h5-9,12,15H,4H2,1-3H3/t12-/m0/s1