(2S)-2-[2-(4-bromophenyl)ethanoylamino]-4-methylsulfonyl-butanoate

Systemtic Name: (2S)-2-[2-(4-bromophenyl)ethanoylamino]-4-methylsulfonyl-butanoate Openeye Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-4-methylsulfonyl-butanoate CAS Name: (2S)-2-[[2-(4-bromophenyl)-1-oxoethyl]amino]-4-methylsulfonylbutanoate IUPAC Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-4-methylsulfonylbutanoate Traditional Name: (2S)-2-[[2-(4-bromophenyl)acetyl]amino]-4-mesyl-butyrate Formula: C13H15BrNO5S- MolecularWeight: 377.2309

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CCC(C(=O)[O-])NC(=O)CC1=CC=C(C=C1)Br

Isomeric SMILES

CS(=O)(=O)CC[C@@H](C(=O)[O-])NC(=O)CC1=CC=C(C=C1)Br

InChI

InChI=1S/C13H16BrNO5S/c1-21(19,20)7-6-11(13(17)18)15-12(16)8-9-2-4-10(14)5-3-9/h2-5,11H,6-8H2,1H3,(H,15,16)(H,17,18)/p-1/t11-/m0/s1