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

Systemtic Name: [4-(4-fluorophenyl)-1-pentyl-piperidin-3-yl]methyl benzenesulfonate Openeye Name: [4-(4-fluorophenyl)-1-pentyl-3-piperidyl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [4-(4-fluorophenyl)-1-pentyl-3-piperidinyl]methyl ester IUPAC Name: [4-(4-fluorophenyl)-1-pentylpiperidin-3-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [1-amyl-4-(4-fluorophenyl)-3-piperidyl]methyl ester Formula: C23H30FNO3S MolecularWeight: 419.552603

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(C(C1)COS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCN1CCC(C(C1)COS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H30FNO3S/c1-2-3-7-15-25-16-14-23(19-10-12-21(24)13-11-19)20(17-25)18-28-29(26,27)22-8-5-4-6-9-22/h4-6,8-13,20,23H,2-3,7,14-18H2,1H3