2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethanoylamino]ethoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethanoylamino]ethoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-[[2-(tert-butoxycarbonylamino)oxyacetyl]amino]ethoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-[[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]oxy-1-oxoethyl]amino]ethoxy]ethyl ester IUPAC Name: 2-[2-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyacetyl]amino]ethoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-[[2-(tert-butoxycarbonylamino)oxyacetyl]amino]ethoxy]ethyl ester Formula: C18H28N2O8S MolecularWeight: 432.48852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCNC(=O)CONC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCNC(=O)CONC(=O)OC(C)(C)C

InChI

InChI=1S/C18H28N2O8S/c1-14-5-7-15(8-6-14)29(23,24)27-12-11-25-10-9-19-16(21)13-26-20-17(22)28-18(2,3)4/h5-8H,9-13H2,1-4H3,(H,19,21)(H,20,22)