(6-chloranylpyridin-3-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: (6-chloranylpyridin-3-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: (6-chloro-3-pyridyl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoic acid (6-chloro-3-pyridinyl)methyl ester IUPAC Name: (6-chloropyridin-3-yl)methyl (2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-(brosylamino)-3-methyl-butyric acid (6-chloro-3-pyridyl)methyl ester Formula: C17H18BrClN2O4S MolecularWeight: 461.75782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC1=CN=C(C=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC1=CN=C(C=C1)Cl)NS(=O)(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C17H18BrClN2O4S/c1-11(2)16(17(22)25-10-12-3-8-15(19)20-9-12)21-26(23,24)14-6-4-13(18)5-7-14/h3-9,11,16,21H,10H2,1-2H3/t16-/m0/s1