[4-(4-fluorophenyl)-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-3-yl]methyl benzenesulfonate

Systemtic Name: [4-(4-fluorophenyl)-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-3-yl]methyl benzenesulfonate Openeye Name: [1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-3-yl]methyl benzenesulfonate CAS Name: benzenesulfonic acid [4-(4-fluorophenyl)-1-(phenylmethyl)-3,6-dihydro-2H-pyridin-3-yl]methyl ester IUPAC Name: [1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-3-yl]methyl benzenesulfonate Traditional Name: benzenesulfonic acid [1-benzyl-4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-3-yl]methyl ester Formula: C25H24FNO3S MolecularWeight: 437.526363

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(CN1CC2=CC=CC=C2)COS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1C=C(C(CN1CC2=CC=CC=C2)COS(=O)(=O)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C25H24FNO3S/c26-23-13-11-21(12-14-23)25-15-16-27(17-20-7-3-1-4-8-20)18-22(25)19-30-31(28,29)24-9-5-2-6-10-24/h1-15,22H,16-19H2