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

Systemtic Name: 2-[2-methyl-4-[2-(4-propan-2-ylphenyl)sulfanylphenyl]piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(4-isopropylphenyl)sulfanylphenyl]-2-methyl-piperazin-1-yl]acetic acid CAS Name: 2-[2-methyl-4-[2-[(4-propan-2-ylphenyl)thio]phenyl]-1-piperazinyl]acetic acid IUPAC Name: 2-[2-methyl-4-[2-(4-propan-2-ylphenyl)sulfanylphenyl]piperazin-1-yl]acetic acid Traditional Name: 2-[2-methyl-4-[2-(p-cumenylthio)phenyl]piperazino]acetic acid Formula: C22H28N2O2S MolecularWeight: 384.53492

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O2S/c1-16(2)18-8-10-19(11-9-18)27-21-7-5-4-6-20(21)24-13-12-23(15-22(25)26)17(3)14-24/h4-11,16-17H,12-15H2,1-3H3,(H,25,26)