2-[4-[2-(3-methoxyphenyl)sulfanylphenyl]-2,5-dimethyl-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[2-(3-methoxyphenyl)sulfanylphenyl]-2,5-dimethyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(3-methoxyphenyl)sulfanylphenyl]-2,5-dimethyl-piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(3-methoxyphenyl)thio]phenyl]-2,5-dimethyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(3-methoxyphenyl)sulfanylphenyl]-2,5-dimethylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(3-methoxyphenyl)thio]phenyl]-2,5-dimethyl-piperazino]acetic acid Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-15-13-23(16(2)12-22(15)14-21(24)25)19-9-4-5-10-20(19)27-18-8-6-7-17(11-18)26-3/h4-11,15-16H,12-14H2,1-3H3,(H,24,25)