2-[2-(4-piperidin-1-ylphenyl)sulfanylphenyl]ethanoic acid

Systemtic Name: 2-[2-(4-piperidin-1-ylphenyl)sulfanylphenyl]ethanoic acid Openeye Name: 2-[2-[4-(1-piperidyl)phenyl]sulfanylphenyl]acetic acid CAS Name: 2-[2-[[4-(1-piperidinyl)phenyl]thio]phenyl]acetic acid IUPAC Name: 2-[2-(4-piperidin-1-ylphenyl)sulfanylphenyl]acetic acid Traditional Name: 2-[2-[(4-piperidinophenyl)thio]phenyl]acetic acid Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)SC3=CC=CC=C3CC(=O)O

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)SC3=CC=CC=C3CC(=O)O

InChI

InChI=1S/C19H21NO2S/c21-19(22)14-15-6-2-3-7-18(15)23-17-10-8-16(9-11-17)20-12-4-1-5-13-20/h2-3,6-11H,1,4-5,12-14H2,(H,21,22)