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

Systemtic Name: 2-(4-piperidin-1-ylphenyl)sulfanyloctanoic acid Openeye Name: 2-[4-(1-piperidyl)phenyl]sulfanyloctanoic acid CAS Name: 2-[[4-(1-piperidinyl)phenyl]thio]octanoic acid IUPAC Name: 2-(4-piperidin-1-ylphenyl)sulfanyloctanoic acid Traditional Name: 2-[(4-piperidinophenyl)thio]caprylic acid Formula: C19H29NO2S MolecularWeight: 335.50406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)N2CCCCC2

Isomeric SMILES

CCCCCCC(C(=O)O)SC1=CC=C(C=C1)N2CCCCC2

InChI

InChI=1S/C19H29NO2S/c1-2-3-4-6-9-18(19(21)22)23-17-12-10-16(11-13-17)20-14-7-5-8-15-20/h10-13,18H,2-9,14-15H2,1H3,(H,21,22)