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

Systemtic Name: [2-(imidazol-1-ylmethyl)-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(imidazol-1-ylmethyl)-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1-imidazolylmethyl)-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2-(imidazol-1-ylmethyl)-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(imidazol-1-ylmethyl)-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-4-yl]methyl ester Formula: C24H28N2O6S MolecularWeight: 472.55392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(CCC3=CC=C(C=C3)OC)CN4C=CN=C4

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)(CCC3=CC=C(C=C3)OC)CN4C=CN=C4

InChI

InChI=1S/C24H28N2O6S/c1-19-3-9-23(10-4-19)33(27,28)31-16-22-15-30-24(32-22,17-26-14-13-25-18-26)12-11-20-5-7-21(29-2)8-6-20/h3-10,13-14,18,22H,11-12,15-17H2,1-2H3