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

Systemtic Name: [1-(3-chlorophenyl)carbonyl-4-fluoranyl-piperidin-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-(3-chlorobenzoyl)-4-fluoro-4-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-[(3-chlorophenyl)-oxomethyl]-4-fluoro-4-piperidinyl]methyl ester IUPAC Name: [1-(3-chlorobenzoyl)-4-fluoropiperidin-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(3-chlorobenzoyl)-4-fluoro-4-piperidyl]methyl ester Formula: C20H21ClFNO4S MolecularWeight: 425.901443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClFNO4S/c1-15-5-7-18(8-6-15)28(25,26)27-14-20(22)9-11-23(12-10-20)19(24)16-3-2-4-17(21)13-16/h2-8,13H,9-12,14H2,1H3