ethyl 3-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 3-[[1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 3-[[1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate CAS Name: 3-[[[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4-piperidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidine-4-carbonyl]amino]benzoate Traditional Name: 3-[[1-(2-chloro-6-fluoro-benzyl)sulfonylisonipecotoyl]amino]benzoic acid ethyl ester Formula: C22H24ClFN2O5S MolecularWeight: 482.952763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H24ClFN2O5S/c1-2-31-22(28)16-5-3-6-17(13-16)25-21(27)15-9-11-26(12-10-15)32(29,30)14-18-19(23)7-4-8-20(18)24/h3-8,13,15H,2,9-12,14H2,1H3,(H,25,27)