6-[2-(2-chlorophenyl)sulfanylethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(2-chlorophenyl)sulfanylethanoylamino]hexanoic acid Openeye Name: 6-[[2-(2-chlorophenyl)sulfanylacetyl]amino]hexanoic acid CAS Name: 6-[[2-[(2-chlorophenyl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(2-chlorophenyl)sulfanylacetyl]amino]hexanoic acid Traditional Name: 6-[[2-[(2-chlorophenyl)thio]acetyl]amino]hexanoic acid Formula: C14H18ClNO3S MolecularWeight: 315.81562

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18ClNO3S/c15-11-6-3-4-7-12(11)20-10-13(17)16-9-5-1-2-8-14(18)19/h3-4,6-7H,1-2,5,8-10H2,(H,16,17)(H,18,19)