[(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-(butylsulfonylamino)propanoate

Systemtic Name: [(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] (2S)-2-(butylsulfonylamino)propanoate Openeye Name: [(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] (2S)-2-(butylsulfonylamino)propanoate CAS Name: (2S)-2-(butylsulfonylamino)propanoic acid [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] (2S)-2-(butylsulfonylamino)propanoate Traditional Name: (2S)-2-(butylsulfonylamino)propionic acid [(1R)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H22BrNO5S MolecularWeight: 420.31858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(C)C(=O)OC(C)C(=O)C1=CC=C(C=C1)Br

Isomeric SMILES

CCCCS(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)C1=CC=C(C=C1)Br

InChI

InChI=1S/C16H22BrNO5S/c1-4-5-10-24(21,22)18-11(2)16(20)23-12(3)15(19)13-6-8-14(17)9-7-13/h6-9,11-12,18H,4-5,10H2,1-3H3/t11-,12+/m0/s1