2-[4-[5-methoxy-2-(4-methoxyphenyl)sulfanyl-phenyl]-2,5-dimethyl-piperazin-1-yl]ethanoic acid

Systemtic Name: 2-[4-[5-methoxy-2-(4-methoxyphenyl)sulfanyl-phenyl]-2,5-dimethyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[5-methoxy-2-(4-methoxyphenyl)sulfanyl-phenyl]-2,5-dimethyl-piperazin-1-yl]acetic acid CAS Name: 2-[4-[5-methoxy-2-[(4-methoxyphenyl)thio]phenyl]-2,5-dimethyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-2,5-dimethylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-[5-methoxy-2-[(4-methoxyphenyl)thio]phenyl]-2,5-dimethyl-piperazino]acetic acid Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C2=C(C=CC(=C2)OC)SC3=CC=C(C=C3)OC)C)CC(=O)O

Isomeric SMILES

CC1CN(C(CN1C2=C(C=CC(=C2)OC)SC3=CC=C(C=C3)OC)C)CC(=O)O

InChI

InChI=1S/C22H28N2O4S/c1-15-13-24(16(2)12-23(15)14-22(25)26)20-11-18(28-4)7-10-21(20)29-19-8-5-17(27-3)6-9-19/h5-11,15-16H,12-14H2,1-4H3,(H,25,26)