[4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl]methyl 2-phenylethanesulfonate

Systemtic Name: [4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl]methyl 2-phenylethanesulfonate Openeye Name: [4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl]methyl 2-phenylethanesulfonate CAS Name: 2-phenylethanesulfonic acid [4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl]methyl ester IUPAC Name: [4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl]methyl 2-phenylethanesulfonate Traditional Name: 2-phenylethanesulfonic acid [4-(4-fluorophenyl)-1,2,3,6-tetrahydropyridin-3-yl]methyl ester Formula: C20H22FNO3S MolecularWeight: 375.456983

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C(CN1)COS(=O)(=O)CCC2=CC=CC=C2)C3=CC=C(C=C3)F

Isomeric SMILES

C1C=C(C(CN1)COS(=O)(=O)CCC2=CC=CC=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FNO3S/c21-19-8-6-17(7-9-19)20-10-12-22-14-18(20)15-25-26(23,24)13-11-16-4-2-1-3-5-16/h1-10,18,22H,11-15H2