[2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-fluoranyl-benzoate

Systemtic Name: [2-[(4-methoxy-3-piperidin-1-ylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-chloranyl-2-fluoranyl-benzoate Openeye Name: [2-[4-methoxy-3-(1-piperidylsulfonyl)anilino]-2-oxo-ethyl] 4-chloro-2-fluoro-benzoate CAS Name: 4-chloro-2-fluorobenzoic acid [2-[4-methoxy-3-(1-piperidinylsulfonyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methoxy-3-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 4-chloro-2-fluorobenzoate Traditional Name: 4-chloro-2-fluoro-benzoic acid [2-keto-2-(4-methoxy-3-piperidinosulfonyl-anilino)ethyl] ester Formula: C21H22ClFN2O6S MolecularWeight: 484.925583

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)F)S(=O)(=O)N3CCCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)C2=C(C=C(C=C2)Cl)F)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C21H22ClFN2O6S/c1-30-18-8-6-15(12-19(18)32(28,29)25-9-3-2-4-10-25)24-20(26)13-31-21(27)16-7-5-14(22)11-17(16)23/h5-8,11-12H,2-4,9-10,13H2,1H3,(H,24,26)