[2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate

Systemtic Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxidanylidene-ethyl] 3,5-bis(fluoranyl)benzoate Openeye Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxo-ethyl] 3,5-difluorobenzoate CAS Name: 3,5-difluorobenzoic acid [2-(4-methylsulfonyl-1-piperazinyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfonylpiperazin-1-yl)-2-oxoethyl] 3,5-difluorobenzoate Traditional Name: 3,5-difluorobenzoic acid [2-keto-2-(4-mesylpiperazino)ethyl] ester Formula: C14H16F2N2O5S MolecularWeight: 362.349046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=CC(=C2)F)F

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)COC(=O)C2=CC(=CC(=C2)F)F

InChI

InChI=1S/C14H16F2N2O5S/c1-24(21,22)18-4-2-17(3-5-18)13(19)9-23-14(20)10-6-11(15)8-12(16)7-10/h6-8H,2-5,9H2,1H3