[3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [3-[1-(tert-butoxycarbonylamino)ethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [3-[1-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]phenyl] ester IUPAC Name: [3-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [3-[1-(tert-butoxycarbonylamino)ethyl]phenyl] ester Formula: C20H25NO5S MolecularWeight: 391.4812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(C)NC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)C(C)NC(=O)OC(C)(C)C

InChI

InChI=1S/C20H25NO5S/c1-14-9-11-18(12-10-14)27(23,24)26-17-8-6-7-16(13-17)15(2)21-19(22)25-20(3,4)5/h6-13,15H,1-5H3,(H,21,22)