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

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenyl-propyl] 4-methylbenzenesulfonate Openeye Name: [2-(tert-butoxycarbonylamino)-3-phenyl-propyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-3-phenylpropyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylpropyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [2-(tert-butoxycarbonylamino)-3-phenyl-propyl] ester Formula: C21H27NO5S MolecularWeight: 405.50778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC(CC2=CC=CC=C2)NC(=O)OC(C)(C)C

InChI

InChI=1S/C21H27NO5S/c1-16-10-12-19(13-11-16)28(24,25)26-15-18(14-17-8-6-5-7-9-17)22-20(23)27-21(2,3)4/h5-13,18H,14-15H2,1-4H3,(H,22,23)