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

Systemtic Name: 2-[2,5-dimethyl-4-[2-(4-phenylphenyl)sulfanylphenyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[2,5-dimethyl-4-[2-(4-phenylphenyl)sulfanylphenyl]piperazin-1-yl]acetic acid CAS Name: 2-[2,5-dimethyl-4-[2-[(4-phenylphenyl)thio]phenyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[2,5-dimethyl-4-[2-(4-phenylphenyl)sulfanylphenyl]piperazin-1-yl]acetic acid Traditional Name: 2-[2,5-dimethyl-4-[2-[(4-phenylphenyl)thio]phenyl]piperazino]acetic acid Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C2=CC=CC=C2SC3=CC=C(C=C3)C4=CC=CC=C4)C)CC(=O)O

Isomeric SMILES

CC1CN(C(CN1C2=CC=CC=C2SC3=CC=C(C=C3)C4=CC=CC=C4)C)CC(=O)O

InChI

InChI=1S/C26H28N2O2S/c1-19-17-28(20(2)16-27(19)18-26(29)30)24-10-6-7-11-25(24)31-23-14-12-22(13-15-23)21-8-4-3-5-9-21/h3-15,19-20H,16-18H2,1-2H3,(H,29,30)