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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCN1CC(=O)O)C2=CC=CC=C2SC3=CC=C(C=C3)OC)C

Isomeric SMILES

CC1(CN(CCN1CC(=O)O)C2=CC=CC=C2SC3=CC=C(C=C3)OC)C

InChI

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