[2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] 2-fluoranylbenzoate

Systemtic Name: [2-oxidanylidene-2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethyl] 2-fluoranylbenzoate Openeye Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 2-fluorobenzoate CAS Name: 2-fluorobenzoic acid [2-oxo-2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethyl] ester IUPAC Name: [2-(4-benzylsulfonylpiperazin-1-yl)-2-oxoethyl] 2-fluorobenzoate Traditional Name: 2-fluorobenzoic acid [2-(4-benzylsulfonylpiperazino)-2-keto-ethyl] ester Formula: C20H21FN2O5S MolecularWeight: 420.454543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC=CC=C2F)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC=CC=C2F)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H21FN2O5S/c21-18-9-5-4-8-17(18)20(25)28-14-19(24)22-10-12-23(13-11-22)29(26,27)15-16-6-2-1-3-7-16/h1-9H,10-15H2