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

Systemtic Name: 2-[4-[2-(4-methoxyphenyl)sulfanylphenyl]-2-methyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(4-methoxyphenyl)sulfanylphenyl]-2-methyl-piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(4-methoxyphenyl)thio]phenyl]-2-methyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(4-methoxyphenyl)thio]phenyl]-2-methyl-piperazino]acetic acid Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(=O)O)C2=CC=CC=C2SC3=CC=C(C=C3)OC

Isomeric SMILES

CC1CN(CCN1CC(=O)O)C2=CC=CC=C2SC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H24N2O3S/c1-15-13-22(12-11-21(15)14-20(23)24)18-5-3-4-6-19(18)26-17-9-7-16(25-2)8-10-17/h3-10,15H,11-14H2,1-2H3,(H,23,24)