6-[3-(2-chlorophenyl)sulfanylpropanoylamino]hexanoic acid

Systemtic Name: 6-[3-(2-chlorophenyl)sulfanylpropanoylamino]hexanoic acid Openeye Name: 6-[3-(2-chlorophenyl)sulfanylpropanoylamino]hexanoic acid CAS Name: 6-[[3-[(2-chlorophenyl)thio]-1-oxopropyl]amino]hexanoic acid IUPAC Name: 6-[3-(2-chlorophenyl)sulfanylpropanoylamino]hexanoic acid Traditional Name: 6-[3-[(2-chlorophenyl)thio]propanoylamino]hexanoic acid Formula: C15H20ClNO3S MolecularWeight: 329.8422

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)SCCC(=O)NCCCCCC(=O)O)Cl

Isomeric SMILES

C1=CC=C(C(=C1)SCCC(=O)NCCCCCC(=O)O)Cl

InChI

InChI=1S/C15H20ClNO3S/c16-12-6-3-4-7-13(12)21-11-9-14(18)17-10-5-1-2-8-15(19)20/h3-4,6-7H,1-2,5,8-11H2,(H,17,18)(H,19,20)