2-[4-[2-(4-chlorophenyl)sulfanylphenyl]-2,5-dimethyl-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(4-chlorophenyl)sulfanylphenyl]-2,5-dimethyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(4-chlorophenyl)sulfanylphenyl]-2,5-dimethyl-piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(4-chlorophenyl)thio]phenyl]-2,5-dimethyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(4-chlorophenyl)sulfanylphenyl]-2,5-dimethylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(4-chlorophenyl)thio]phenyl]-2,5-dimethyl-piperazino]acetic acid Formula: C20H23ClN2O2S MolecularWeight: 390.92682

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C2=CC=CC=C2SC3=CC=C(C=C3)Cl)C)CC(=O)O

Isomeric SMILES

CC1CN(C(CN1C2=CC=CC=C2SC3=CC=C(C=C3)Cl)C)CC(=O)O

InChI

InChI=1S/C20H23ClN2O2S/c1-14-12-23(15(2)11-22(14)13-20(24)25)18-5-3-4-6-19(18)26-17-9-7-16(21)8-10-17/h3-10,14-15H,11-13H2,1-2H3,(H,24,25)