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

Systemtic Name: [1-(4-cyanophenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl] methanesulfonate Openeye Name: [1-[(tert-butoxycarbonylamino)methyl]-2-(4-cyanophenoxy)ethyl] methanesulfonate CAS Name: methanesulfonic acid [1-(4-cyanophenoxy)-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propan-2-yl] ester IUPAC Name: [1-(4-cyanophenoxy)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [1-[(tert-butoxycarbonylamino)methyl]-2-(4-cyanophenoxy)ethyl] ester Formula: C16H22N2O6S MolecularWeight: 370.42068

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC(COC1=CC=C(C=C1)C#N)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC(COC1=CC=C(C=C1)C#N)OS(=O)(=O)C

InChI

InChI=1S/C16H22N2O6S/c1-16(2,3)23-15(19)18-10-14(24-25(4,20)21)11-22-13-7-5-12(9-17)6-8-13/h5-8,14H,10-11H2,1-4H3,(H,18,19)