4-[2-(4-fluorophenyl)sulfanylphenyl]-2,5-dimethyl-piperazine-1-carboxylic acid

Systemtic Name: 4-[2-(4-fluorophenyl)sulfanylphenyl]-2,5-dimethyl-piperazine-1-carboxylic acid Openeye Name: 4-[2-(4-fluorophenyl)sulfanylphenyl]-2,5-dimethyl-piperazine-1-carboxylic acid CAS Name: 4-[2-[(4-fluorophenyl)thio]phenyl]-2,5-dimethyl-1-piperazinecarboxylic acid IUPAC Name: 4-[2-(4-fluorophenyl)sulfanylphenyl]-2,5-dimethylpiperazine-1-carboxylic acid Traditional Name: 4-[2-[(4-fluorophenyl)thio]phenyl]-2,5-dimethyl-piperazine-1-carboxylic acid Formula: C19H21FN2O2S MolecularWeight: 360.445643

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(CN1C(=O)O)C)C2=CC=CC=C2SC3=CC=C(C=C3)F

Isomeric SMILES

CC1CN(C(CN1C(=O)O)C)C2=CC=CC=C2SC3=CC=C(C=C3)F

InChI

InChI=1S/C19H21FN2O2S/c1-13-12-22(19(23)24)14(2)11-21(13)17-5-3-4-6-18(17)25-16-9-7-15(20)8-10-16/h3-10,13-14H,11-12H2,1-2H3,(H,23,24)