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

Systemtic Name: 2-[4-[2-(4-acetamidophenyl)sulfanylphenyl]-2,5-dimethyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[2-(4-acetamidophenyl)sulfanylphenyl]-2,5-dimethyl-piperazin-1-yl]acetic acid CAS Name: 2-[4-[2-[(4-acetamidophenyl)thio]phenyl]-2,5-dimethyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[2-(4-acetamidophenyl)sulfanylphenyl]-2,5-dimethylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-[2-[(4-acetamidophenyl)thio]phenyl]-2,5-dimethyl-piperazino]acetic acid Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-15-13-25(16(2)12-24(15)14-22(27)28)20-6-4-5-7-21(20)29-19-10-8-18(9-11-19)23-17(3)26/h4-11,15-16H,12-14H2,1-3H3,(H,23,26)(H,27,28)