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

Systemtic Name: [2-(4-cyanophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate Openeye Name: [2-(4-cyanophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate CAS Name: methanesulfonic acid [2-(4-cyanophenyl)-2-(1-imidazolylmethyl)-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [2-(4-cyanophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [2-(4-cyanophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OCC1COC(O1)(CN2C=CN=C2)C3=CC=C(C=C3)C#N

Isomeric SMILES

CS(=O)(=O)OCC1COC(O1)(CN2C=CN=C2)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C16H17N3O5S/c1-25(20,21)23-10-15-9-22-16(24-15,11-19-7-6-18-12-19)14-4-2-13(8-17)3-5-14/h2-7,12,15H,9-11H2,1H3