6-[2-(4-bromophenyl)sulfanylethanoylamino]hexanoic acid

Systemtic Name: 6-[2-(4-bromophenyl)sulfanylethanoylamino]hexanoic acid Openeye Name: 6-[[2-(4-bromophenyl)sulfanylacetyl]amino]hexanoic acid CAS Name: 6-[[2-[(4-bromophenyl)thio]-1-oxoethyl]amino]hexanoic acid IUPAC Name: 6-[[2-(4-bromophenyl)sulfanylacetyl]amino]hexanoic acid Traditional Name: 6-[[2-[(4-bromophenyl)thio]acetyl]amino]hexanoic acid Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCC(=O)NCCCCCC(=O)O)Br

Isomeric SMILES

C1=CC(=CC=C1SCC(=O)NCCCCCC(=O)O)Br

InChI

InChI=1S/C14H18BrNO3S/c15-11-5-7-12(8-6-11)20-10-13(17)16-9-3-1-2-4-14(18)19/h5-8H,1-4,9-10H2,(H,16,17)(H,18,19)