[4-(4-fluorophenyl)-1-pentyl-piperidin-2-yl]methyl benzenesulfonate

Systemtic Name: [4-(4-fluorophenyl)-1-pentyl-piperidin-2-yl]methyl benzenesulfonate Openeye Name: [4-(4-fluorophenyl)-1-pentyl-2-piperidyl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [4-(4-fluorophenyl)-1-pentyl-2-piperidinyl]methyl ester IUPAC Name: [4-(4-fluorophenyl)-1-pentylpiperidin-2-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [1-amyl-4-(4-fluorophenyl)-2-piperidyl]methyl ester Formula: C23H30FNO3S MolecularWeight: 419.552603

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCC(CC1COS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCCCCN1CCC(CC1COS(=O)(=O)C2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

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