[2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylsulfonyl)piperazin-1-yl]ethyl] 2-chloranyl-6-fluoranyl-benzoate Openeye Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxo-ethyl] 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid [2-[4-(benzenesulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(benzenesulfonyl)piperazin-1-yl]-2-oxoethyl] 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid [2-(4-besylpiperazino)-2-keto-ethyl] ester Formula: C19H18ClFN2O5S MolecularWeight: 440.873023

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18ClFN2O5S/c20-15-7-4-8-16(21)18(15)19(25)28-13-17(24)22-9-11-23(12-10-22)29(26,27)14-5-2-1-3-6-14/h1-8H,9-13H2