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

Systemtic Name: 2-[4-[2-(4-tert-butylphenyl)sulfanylphenyl]-2-methyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(4-tert-butylphenyl)sulfanylphenyl]-2-methyl-piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(4-tert-butylphenyl)thio]phenyl]-2-methyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(4-tert-butylphenyl)sulfanylphenyl]-2-methylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(4-tert-butylphenyl)thio]phenyl]-2-methyl-piperazino]acetic acid Formula: C23H30N2O2S MolecularWeight: 398.5615

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H30N2O2S/c1-17-15-25(14-13-24(17)16-22(26)27)20-7-5-6-8-21(20)28-19-11-9-18(10-12-19)23(2,3)4/h5-12,17H,13-16H2,1-4H3,(H,26,27)