[2-[2-(2-chlorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-[2-(2-chlorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-[2-(2-chlorobenzoyl)hydrazino]-2-oxo-ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-[[(2-chlorophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-chlorobenzoyl)hydrazinyl]-2-oxoethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-[N'-(2-chlorobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C21H21ClFN3O6S MolecularWeight: 497.924343

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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=C3Cl)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NNC(=O)C3=CC=CC=C3Cl)F

InChI

InChI=1S/C21H21ClFN3O6S/c22-16-7-3-2-6-15(16)20(28)25-24-19(27)13-32-21(29)14-8-9-17(23)18(12-14)33(30,31)26-10-4-1-5-11-26/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,24,27)(H,25,28)