[2-[3-(4-fluorophenyl)propyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [2-[3-(4-fluorophenyl)propyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-[3-(4-fluorophenyl)propyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[3-(4-fluorophenyl)propyl]-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2-[3-(4-fluorophenyl)propyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[3-(4-fluorophenyl)propyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl ester Formula: C24H27FN2O5S MolecularWeight: 474.544983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(CCCC3=CC=C(C=C3)F)CN4C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(CCCC3=CC=C(C=C3)F)CN4C=CN=C4

InChI

InChI=1S/C24H27FN2O5S/c1-19-4-10-23(11-5-19)33(28,29)31-16-22-15-30-24(32-22,17-27-14-13-26-18-27)12-2-3-20-6-8-21(25)9-7-20/h4-11,13-14,18,22H,2-3,12,15-17H2,1H3