2-[5-chloranyl-4-[2-(4-methoxyphenyl)sulfanylphenyl]-2-methyl-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[5-chloranyl-4-[2-(4-methoxyphenyl)sulfanylphenyl]-2-methyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[5-chloro-4-[2-(4-methoxyphenyl)sulfanylphenyl]-2-methyl-piperazin-1-yl]acetic acid CAS Name: 2-[5-chloro-4-[2-[(4-methoxyphenyl)thio]phenyl]-2-methyl-1-piperazinyl]acetic acid IUPAC Name: 2-[5-chloro-4-[2-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperazin-1-yl]acetic acid Traditional Name: 2-[5-chloro-4-[2-[(4-methoxyphenyl)thio]phenyl]-2-methyl-piperazino]acetic acid Formula: C20H23ClN2O3S MolecularWeight: 406.92622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1CC(=O)O)Cl)C2=CC=CC=C2SC3=CC=C(C=C3)OC

Isomeric SMILES

CC1CN(C(CN1CC(=O)O)Cl)C2=CC=CC=C2SC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23ClN2O3S/c1-14-11-23(19(21)12-22(14)13-20(24)25)17-5-3-4-6-18(17)27-16-9-7-15(26-2)8-10-16/h3-10,14,19H,11-13H2,1-2H3,(H,24,25)