(5-chloranyl-1-methyl-imidazol-2-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (5-chloranyl-1-methyl-imidazol-2-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (5-chloro-1-methyl-imidazol-2-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid (5-chloro-1-methyl-2-imidazolyl)methyl ester IUPAC Name: (5-chloro-1-methylimidazol-2-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid (5-chloro-1-methyl-imidazol-2-yl)methyl ester Formula: C16H19BrClN3O4S MolecularWeight: 464.76176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=NC=C(N1C)Cl)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=NC=C(N1C)Cl)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C16H19BrClN3O4S/c1-10(2)15(16(22)25-9-14-19-8-13(18)21(14)3)20-26(23,24)12-6-4-11(17)5-7-12/h4-8,10,15,20H,9H2,1-3H3/t15-/m0/s1