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

Systemtic Name: [2-(imidazol-1-ylmethyl)-2-(3-phenylpropyl)-1,3-dioxolan-4-yl]methyl methanesulfonate Openeye Name: [2-(imidazol-1-ylmethyl)-2-(3-phenylpropyl)-1,3-dioxolan-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [2-(1-imidazolylmethyl)-2-(3-phenylpropyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2-(imidazol-1-ylmethyl)-2-(3-phenylpropyl)-1,3-dioxolan-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-(imidazol-1-ylmethyl)-2-(3-phenylpropyl)-1,3-dioxolan-4-yl]methyl ester Formula: C18H24N2O5S MolecularWeight: 380.45856

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1COC(O1)(CCCC2=CC=CC=C2)CN3C=CN=C3

Isomeric SMILES

CS(=O)(=O)OCC1COC(O1)(CCCC2=CC=CC=C2)CN3C=CN=C3

InChI

InChI=1S/C18H24N2O5S/c1-26(21,22)24-13-17-12-23-18(25-17,14-20-11-10-19-15-20)9-5-8-16-6-3-2-4-7-16/h2-4,6-7,10-11,15,17H,5,8-9,12-14H2,1H3