[(4R,5R)-5-[cyano-[(4-methoxyphenyl)methylamino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [(4R,5R)-5-[cyano-[(4-methoxyphenyl)methylamino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Openeye Name: [(4R,5R)-5-[cyano-[(4-methoxyphenyl)methylamino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(4R,5R)-5-[cyano-[(4-methoxyphenyl)methylamino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester IUPAC Name: [(4R,5R)-5-[cyano-[(4-methoxyphenyl)methylamino]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(4R,5R)-5-[cyano-(p-anisylamino)methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]methyl ester Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2C(OC(O2)(C)C)C(C#N)NCC3=CC=C(C=C3)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC[C@@H]2[C@H](OC(O2)(C)C)C(C#N)NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C23H28N2O6S/c1-16-5-11-19(12-6-16)32(26,27)29-15-21-22(31-23(2,3)30-21)20(13-24)25-14-17-7-9-18(28-4)10-8-17/h5-12,20-22,25H,14-15H2,1-4H3/t20?,21-,22-/m1/s1