2-[3-(4-chlorophenyl)sulfanylpropanoylamino]hexanoic acid

Systemtic Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]hexanoic acid Openeye Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]hexanoic acid CAS Name: 2-[[3-[(4-chlorophenyl)thio]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 2-[3-(4-chlorophenyl)sulfanylpropanoylamino]hexanoic acid Traditional Name: 2-[3-[(4-chlorophenyl)thio]propanoylamino]hexanoic acid Formula: C15H20ClNO3S MolecularWeight: 329.8422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)Cl

Isomeric SMILES

CCCCC(C(=O)O)NC(=O)CCSC1=CC=C(C=C1)Cl

InChI

InChI=1S/C15H20ClNO3S/c1-2-3-4-13(15(19)20)17-14(18)9-10-21-12-7-5-11(16)6-8-12/h5-8,13H,2-4,9-10H2,1H3,(H,17,18)(H,19,20)