2-[2-(2-piperazin-1-ylethoxy)phenyl]sulfanyloctanoic acid

Systemtic Name: 2-[2-(2-piperazin-1-ylethoxy)phenyl]sulfanyloctanoic acid Openeye Name: 2-[2-(2-piperazin-1-ylethoxy)phenyl]sulfanyloctanoic acid CAS Name: 2-[[2-[2-(1-piperazinyl)ethoxy]phenyl]thio]octanoic acid IUPAC Name: 2-[2-(2-piperazin-1-ylethoxy)phenyl]sulfanyloctanoic acid Traditional Name: 2-[[2-(2-piperazinoethoxy)phenyl]thio]caprylic acid Formula: C20H32N2O3S MolecularWeight: 380.54468

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=CC=C1OCCN2CCNCC2

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=CC=C1OCCN2CCNCC2

InChI

InChI=1S/C20H32N2O3S/c1-2-3-4-5-10-19(20(23)24)26-18-9-7-6-8-17(18)25-16-15-22-13-11-21-12-14-22/h6-9,19,21H,2-5,10-16H2,1H3,(H,23,24)