1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl 4-methylbenzenesulfonate

Systemtic Name: 1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl 4-methylbenzenesulfonate Openeye Name: [2-(tert-butoxycarbonylamino)-1-[(tert-butoxycarbonylamino)methyl]ethyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 1,3-bis[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propan-2-yl ester IUPAC Name: 1,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propan-2-yl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(tert-butoxycarbonylamino)-1-[(tert-butoxycarbonylamino)methyl]ethyl] ester Formula: C20H32N2O7S MolecularWeight: 444.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC(CNC(=O)OC(C)(C)C)CNC(=O)OC(C)(C)C

InChI

InChI=1S/C20H32N2O7S/c1-14-8-10-16(11-9-14)30(25,26)29-15(12-21-17(23)27-19(2,3)4)13-22-18(24)28-20(5,6)7/h8-11,15H,12-13H2,1-7H3,(H,21,23)(H,22,24)