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

Systemtic Name: cyanomethyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: cyanomethyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid cyanomethyl ester Formula: C13H15BrN2O4S MolecularWeight: 375.2382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC#N)NS(=O)(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C13H15BrN2O4S/c1-9(2)12(13(17)20-8-7-15)16-21(18,19)11-5-3-10(14)4-6-11/h3-6,9,12,16H,8H2,1-2H3/t12-/m0/s1