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

Systemtic Name: 2-[(2S)-4-[5-chloranyl-2-(4-methoxyphenyl)sulfanyl-phenyl]-2-methyl-piperazin-1-yl]ethanoic acid Openeye Name: 2-[(2S)-4-[5-chloro-2-(4-methoxyphenyl)sulfanyl-phenyl]-2-methyl-piperazin-1-yl]acetic acid CAS Name: 2-[(2S)-4-[5-chloro-2-[(4-methoxyphenyl)thio]phenyl]-2-methyl-1-piperazinyl]acetic acid IUPAC Name: 2-[(2S)-4-[5-chloro-2-(4-methoxyphenyl)sulfanylphenyl]-2-methylpiperazin-1-yl]acetic acid Traditional Name: 2-[(2S)-4-[5-chloro-2-[(4-methoxyphenyl)thio]phenyl]-2-methyl-piperazino]acetic acid Formula: C20H23ClN2O3S MolecularWeight: 406.92622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CN(CCN1CC(=O)O)C2=C(C=CC(=C2)Cl)SC3=CC=C(C=C3)OC

InChI

InChI=1S/C20H23ClN2O3S/c1-14-12-23(10-9-22(14)13-20(24)25)18-11-15(21)3-8-19(18)27-17-6-4-16(26-2)5-7-17/h3-8,11,14H,9-10,12-13H2,1-2H3,(H,24,25)/t14-/m0/s1