[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate

Systemtic Name: [2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-1-yl]-2-oxidanylidene-ethyl] 4-methylsulfanylbenzoate Openeye Name: [2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-1-yl]-2-oxo-ethyl] 4-methylsulfanylbenzoate CAS Name: 4-(methylthio)benzoic acid [2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]-2-oxoethyl] 4-methylsulfanylbenzoate Traditional Name: 4-(methylthio)benzoic acid [2-[4-(2-chloro-6-fluoro-benzyl)piperazino]-2-keto-ethyl] ester Formula: C21H22ClFN2O3S MolecularWeight: 436.927383

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)OCC(=O)N2CCN(CC2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H22ClFN2O3S/c1-29-16-7-5-15(6-8-16)21(27)28-14-20(26)25-11-9-24(10-12-25)13-17-18(22)3-2-4-19(17)23/h2-8H,9-14H2,1H3