[1-butyl-4-(4-fluorophenyl)piperidin-3-yl]methyl benzenesulfonate

Systemtic Name: [1-butyl-4-(4-fluorophenyl)piperidin-3-yl]methyl benzenesulfonate Openeye Name: [1-butyl-4-(4-fluorophenyl)-3-piperidyl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [1-butyl-4-(4-fluorophenyl)-3-piperidinyl]methyl ester IUPAC Name: [1-butyl-4-(4-fluorophenyl)piperidin-3-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [1-butyl-4-(4-fluorophenyl)-3-piperidyl]methyl ester Formula: C22H28FNO3S MolecularWeight: 405.526023

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CCC(C(C1)COS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCN1CCC(C(C1)COS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H28FNO3S/c1-2-3-14-24-15-13-22(18-9-11-20(23)12-10-18)19(16-24)17-27-28(25,26)21-7-5-4-6-8-21/h4-12,19,22H,2-3,13-17H2,1H3