2-[2-(pyridin-4-ylamino)phenyl]sulfanyloctanoic acid

Systemtic Name: 2-[2-(pyridin-4-ylamino)phenyl]sulfanyloctanoic acid Openeye Name: 2-[2-(4-pyridylamino)phenyl]sulfanyloctanoic acid CAS Name: 2-[[2-(pyridin-4-ylamino)phenyl]thio]octanoic acid IUPAC Name: 2-[2-(pyridin-4-ylamino)phenyl]sulfanyloctanoic acid Traditional Name: 2-[[2-(4-pyridylamino)phenyl]thio]caprylic acid Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=CC=C1NC2=CC=NC=C2

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=CC=C1NC2=CC=NC=C2

InChI

InChI=1S/C19H24N2O2S/c1-2-3-4-5-10-18(19(22)23)24-17-9-7-6-8-16(17)21-15-11-13-20-14-12-15/h6-9,11-14,18H,2-5,10H2,1H3,(H,20,21)(H,22,23)