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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1CC(=O)O)C2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1(CN(CCN1CC(=O)O)C2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)OC)C

InChI

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