[3,3-diethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 4-methylbenzenesulfonate

Systemtic Name: [3,3-diethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 4-methylbenzenesulfonate Openeye Name: [2-(tert-butoxycarbonylamino)-3,3-diethoxy-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3,3-diethoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl] ester IUPAC Name: [3,3-diethoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(tert-butoxycarbonylamino)-3,3-diethoxy-propyl] ester Formula: C19H31NO7S MolecularWeight: 417.51694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C(COS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)OC(C)(C)C)OCC

Isomeric SMILES

CCOC(C(COS(=O)(=O)C1=CC=C(C=C1)C)NC(=O)OC(C)(C)C)OCC

InChI

InChI=1S/C19H31NO7S/c1-7-24-17(25-8-2)16(20-18(21)27-19(4,5)6)13-26-28(22,23)15-11-9-14(3)10-12-15/h9-12,16-17H,7-8,13H2,1-6H3,(H,20,21)