[4-(4-fluorophenyl)-1-methanoyl-piperidin-3-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4-(4-fluorophenyl)-1-methanoyl-piperidin-3-yl]methyl 4-methylbenzenesulfonate Openeye Name: [4-(4-fluorophenyl)-1-formyl-3-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-(4-fluorophenyl)-1-formyl-3-piperidinyl]methyl ester IUPAC Name: [4-(4-fluorophenyl)-1-formylpiperidin-3-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-(4-fluorophenyl)-1-formyl-3-piperidyl]methyl ester Formula: C20H22FNO4S MolecularWeight: 391.456383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(CCC2C3=CC=C(C=C3)F)C=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CN(CCC2C3=CC=C(C=C3)F)C=O

InChI

InChI=1S/C20H22FNO4S/c1-15-2-8-19(9-3-15)27(24,25)26-13-17-12-22(14-23)11-10-20(17)16-4-6-18(21)7-5-16/h2-9,14,17,20H,10-13H2,1H3