2-[4-[2-(3,4-dichlorophenyl)sulfanylphenoxy]piperidin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(3,4-dichlorophenyl)sulfanylphenoxy]piperidin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(3,4-dichlorophenyl)sulfanylphenoxy]-1-piperidyl]acetic acid CAS Name: 2-[4-[2-[(3,4-dichlorophenyl)thio]phenoxy]-1-piperidinyl]acetic acid IUPAC Name: 2-[4-[2-(3,4-dichlorophenyl)sulfanylphenoxy]piperidin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(3,4-dichlorophenyl)thio]phenoxy]piperidino]acetic acid Formula: C19H19Cl2NO3S MolecularWeight: 412.33006

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1OC2=CC=CC=C2SC3=CC(=C(C=C3)Cl)Cl)CC(=O)O

Isomeric SMILES

C1CN(CCC1OC2=CC=CC=C2SC3=CC(=C(C=C3)Cl)Cl)CC(=O)O

InChI

InChI=1S/C19H19Cl2NO3S/c20-15-6-5-14(11-16(15)21)26-18-4-2-1-3-17(18)25-13-7-9-22(10-8-13)12-19(23)24/h1-6,11,13H,7-10,12H2,(H,23,24)