[2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[2-(phenylcarbonyl)hydrazinyl]ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-(2-benzoylhydrazino)-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-(benzoylhydrazo)-2-oxoethyl] ester IUPAC Name: [2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-(N'-benzoylhydrazino)-2-keto-ethyl] ester Formula: C21H22FN3O6S MolecularWeight: 463.479283

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C21H22FN3O6S/c22-17-10-9-16(13-18(17)32(29,30)25-11-5-2-6-12-25)21(28)31-14-19(26)23-24-20(27)15-7-3-1-4-8-15/h1,3-4,7-10,13H,2,5-6,11-12,14H2,(H,23,26)(H,24,27)