6-[2-(4-methylsulfonylphenyl)ethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(4-methylsulfonylphenyl)ethanoylamino]hexanoic acid Openeye Name: 6-[[2-(4-methylsulfonylphenyl)acetyl]amino]hexanoic acid CAS Name: 6-[[2-(4-methylsulfonylphenyl)-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(4-methylsulfonylphenyl)acetyl]amino]hexanoic acid Traditional Name: 6-[[2-(4-mesylphenyl)acetyl]amino]hexanoic acid Formula: C15H21NO5S MolecularWeight: 327.39594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NCCCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)NCCCCCC(=O)O

InChI

InChI=1S/C15H21NO5S/c1-22(20,21)13-8-6-12(7-9-13)11-14(17)16-10-4-2-3-5-15(18)19/h6-9H,2-5,10-11H2,1H3,(H,16,17)(H,18,19)