[2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3,4-bis(fluoranyl)benzoate

Systemtic Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3,4-bis(fluoranyl)benzoate Openeye Name: [2-[4-(2-naphthylsulfonyl)piperazin-1-yl]-2-oxo-ethyl] 3,4-difluorobenzoate CAS Name: 3,4-difluorobenzoic acid [2-[4-(2-naphthalenylsulfonyl)-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)-2-oxoethyl] 3,4-difluorobenzoate Traditional Name: 3,4-difluorobenzoic acid [2-keto-2-[4-(2-naphthylsulfonyl)piperazino]ethyl] ester Formula: C23H20F2N2O5S MolecularWeight: 474.477106

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC(=O)C2=CC(=C(C=C2)F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC(=O)C2=CC(=C(C=C2)F)F)S(=O)(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H20F2N2O5S/c24-20-8-6-18(14-21(20)25)23(29)32-15-22(28)26-9-11-27(12-10-26)33(30,31)19-7-5-16-3-1-2-4-17(16)13-19/h1-8,13-14H,9-12,15H2