[1-(3-chloranyl-4-fluoranyl-phenyl)carbonyl-4-fluoranyl-piperidin-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-(3-chloranyl-4-fluoranyl-phenyl)carbonyl-4-fluoranyl-piperidin-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-(3-chloro-4-fluoro-benzoyl)-4-fluoro-4-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[(3-chloro-4-fluorophenyl)-oxomethyl]-4-fluoro-4-piperidinyl]methyl ester IUPAC Name: [1-(3-chloro-4-fluorobenzoyl)-4-fluoropiperidin-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(3-chloro-4-fluoro-benzoyl)-4-fluoro-4-piperidyl]methyl ester Formula: C20H20ClF2NO4S MolecularWeight: 443.891906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCN(CC2)C(=O)C3=CC(=C(C=C3)F)Cl)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCN(CC2)C(=O)C3=CC(=C(C=C3)F)Cl)F

InChI

InChI=1S/C20H20ClF2NO4S/c1-14-2-5-16(6-3-14)29(26,27)28-13-20(23)8-10-24(11-9-20)19(25)15-4-7-18(22)17(21)12-15/h2-7,12H,8-11,13H2,1H3