[2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [2-[1-(tert-butoxycarbonylamino)propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]phenyl] ester IUPAC Name: [2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-[1-(tert-butoxycarbonylamino)propyl]phenyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)OC(C)(C)C

Isomeric SMILES

CCC(C1=CC=CC=C1OS(=O)(=O)C2=CC=C(C=C2)C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO5S/c1-6-18(22-20(23)26-21(3,4)5)17-9-7-8-10-19(17)27-28(24,25)16-13-11-15(2)12-14-16/h7-14,18H,6H2,1-5H3,(H,22,23)