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

Systemtic Name: 2-[4-[5-methoxy-2-(4-methoxyphenyl)sulfanyl-phenyl]-2-methyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[4-[5-methoxy-2-(4-methoxyphenyl)sulfanyl-phenyl]-2-methyl-piperazin-1-yl]acetic acid CAS Name: 2-[4-[5-methoxy-2-[(4-methoxyphenyl)thio]phenyl]-2-methyl-1-piperazinyl]acetic acid IUPAC Name: 2-[4-[5-methoxy-2-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperazin-1-yl]acetic acid Traditional Name: 2-[4-[5-methoxy-2-[(4-methoxyphenyl)thio]phenyl]-2-methyl-piperazino]acetic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1CC(=O)O)C2=C(C=CC(=C2)OC)SC3=CC=C(C=C3)OC

Isomeric SMILES

CC1CN(CCN1CC(=O)O)C2=C(C=CC(=C2)OC)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H26N2O4S/c1-15-13-23(11-10-22(15)14-21(24)25)19-12-17(27-3)6-9-20(19)28-18-7-4-16(26-2)5-8-18/h4-9,12,15H,10-11,13-14H2,1-3H3,(H,24,25)