2-(4-piperazin-1-ylphenyl)sulfanyloctanoic acid

Systemtic Name: 2-(4-piperazin-1-ylphenyl)sulfanyloctanoic acid Openeye Name: 2-(4-piperazin-1-ylphenyl)sulfanyloctanoic acid CAS Name: 2-[[4-(1-piperazinyl)phenyl]thio]octanoic acid IUPAC Name: 2-(4-piperazin-1-ylphenyl)sulfanyloctanoic acid Traditional Name: 2-[(4-piperazinophenyl)thio]caprylic acid Formula: C18H28N2O2S MolecularWeight: 336.49212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)N2CCNCC2

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)N2CCNCC2

InChI

InChI=1S/C18H28N2O2S/c1-2-3-4-5-6-17(18(21)22)23-16-9-7-15(8-10-16)20-13-11-19-12-14-20/h7-10,17,19H,2-6,11-14H2,1H3,(H,21,22)