2-[4-[5-chloranyl-2-(4-methoxyphenyl)sulfanyl-phenyl]-2,5-dimethyl-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[5-chloranyl-2-(4-methoxyphenyl)sulfanyl-phenyl]-2,5-dimethyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[5-chloro-2-(4-methoxyphenyl)sulfanyl-phenyl]-2,5-dimethyl-piperazin-1-yl]acetic acid CAS Name: 2-[4-[5-chloro-2-[(4-methoxyphenyl)thio]phenyl]-2,5-dimethyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[5-chloro-2-(4-methoxyphenyl)sulfanylphenyl]-2,5-dimethylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-[5-chloro-2-[(4-methoxyphenyl)thio]phenyl]-2,5-dimethyl-piperazino]acetic acid Formula: C21H25ClN2O3S MolecularWeight: 420.9528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)OC)C)CC(=O)O

Isomeric SMILES

CC1CN(C(CN1C2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)OC)C)CC(=O)O

InChI

InChI=1S/C21H25ClN2O3S/c1-14-12-24(15(2)11-23(14)13-21(25)26)19-10-16(22)4-9-20(19)28-18-7-5-17(27-3)6-8-18/h4-10,14-15H,11-13H2,1-3H3,(H,25,26)