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

Systemtic Name: [2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl ester Formula: C15H18N2O5S MolecularWeight: 338.37882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)CN3C=CN=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2COC(O2)CN3C=CN=C3

InChI

InChI=1S/C15H18N2O5S/c1-12-2-4-14(5-3-12)23(18,19)21-10-13-9-20-15(22-13)8-17-7-6-16-11-17/h2-7,11,13,15H,8-10H2,1H3