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

Systemtic Name: [1-(3-chloranyl-4-methyl-phenyl)carbonyl-4-fluoranyl-piperidin-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-(3-chloro-4-methyl-benzoyl)-4-fluoro-4-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[(3-chloro-4-methylphenyl)-oxomethyl]-4-fluoro-4-piperidinyl]methyl ester IUPAC Name: [1-(3-chloro-4-methylbenzoyl)-4-fluoropiperidin-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(3-chloro-4-methyl-benzoyl)-4-fluoro-4-piperidyl]methyl ester Formula: C21H23ClFNO4S MolecularWeight: 439.928023

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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)C)Cl)F

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClFNO4S/c1-15-3-7-18(8-4-15)29(26,27)28-14-21(23)9-11-24(12-10-21)20(25)17-6-5-16(2)19(22)13-17/h3-8,13H,9-12,14H2,1-2H3