[2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 3-(4-fluorophenyl)sulfanylpropanoate

Systemtic Name: [2-oxidanylidene-2-[(4-piperidin-1-ylphenyl)amino]ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Openeye Name: [2-oxo-2-[4-(1-piperidyl)anilino]ethyl] 3-(4-fluorophenyl)sulfanylpropanoate CAS Name: 3-[(4-fluorophenyl)thio]propanoic acid [2-oxo-2-[4-(1-piperidinyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(4-piperidin-1-ylanilino)ethyl] 3-(4-fluorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-fluorophenyl)thio]propionic acid [2-keto-2-(4-piperidinoanilino)ethyl] ester Formula: C22H25FN2O3S MolecularWeight: 416.508903

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)NC(=O)COC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O3S/c23-17-4-10-20(11-5-17)29-15-12-22(27)28-16-21(26)24-18-6-8-19(9-7-18)25-13-2-1-3-14-25/h4-11H,1-3,12-16H2,(H,24,26)