3-[4-[2-(4-methoxyphenyl)sulfanylphenyl]-3-methyl-piperazin-1-yl]propanoic acid

Systemtic Name: 3-[4-[2-(4-methoxyphenyl)sulfanylphenyl]-3-methyl-piperazin-1-yl]propanoic acid Openeye Name: 3-[4-[2-(4-methoxyphenyl)sulfanylphenyl]-3-methyl-piperazin-1-yl]propanoic acid CAS Name: 3-[4-[2-[(4-methoxyphenyl)thio]phenyl]-3-methyl-1-piperazinyl]propanoic acid IUPAC Name: 3-[4-[2-(4-methoxyphenyl)sulfanylphenyl]-3-methylpiperazin-1-yl]propanoic acid Traditional Name: 3-[4-[2-[(4-methoxyphenyl)thio]phenyl]-3-methyl-piperazino]propionic acid Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1C2=CC=CC=C2SC3=CC=C(C=C3)OC)CCC(=O)O

Isomeric SMILES

CC1CN(CCN1C2=CC=CC=C2SC3=CC=C(C=C3)OC)CCC(=O)O

InChI

InChI=1S/C21H26N2O3S/c1-16-15-22(12-11-21(24)25)13-14-23(16)19-5-3-4-6-20(19)27-18-9-7-17(26-2)8-10-18/h3-10,16H,11-15H2,1-2H3,(H,24,25)