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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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