[1-(4-cyanophenoxy)-3-(phenylmethoxycarbonylamino)propan-2-yl] methanesulfonate

Systemtic Name: [1-(4-cyanophenoxy)-3-(phenylmethoxycarbonylamino)propan-2-yl] methanesulfonate Openeye Name: [1-(benzyloxycarbonylaminomethyl)-2-(4-cyanophenoxy)ethyl] methanesulfonate CAS Name: methanesulfonic acid [1-(4-cyanophenoxy)-3-(phenylmethoxycarbonylamino)propan-2-yl] ester IUPAC Name: [1-(4-cyanophenoxy)-3-(phenylmethoxycarbonylamino)propan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-(benzyloxycarbonylaminomethyl)-2-(4-cyanophenoxy)ethyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CNC(=O)OCC1=CC=CC=C1)COC2=CC=C(C=C2)C#N

Isomeric SMILES

CS(=O)(=O)OC(CNC(=O)OCC1=CC=CC=C1)COC2=CC=C(C=C2)C#N

InChI

InChI=1S/C19H20N2O6S/c1-28(23,24)27-18(14-25-17-9-7-15(11-20)8-10-17)12-21-19(22)26-13-16-5-3-2-4-6-16/h2-10,18H,12-14H2,1H3,(H,21,22)