2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 4-methylbenzenesulfonate

Systemtic Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 4-methylbenzenesulfonate Openeye Name: 2-[2-(tert-butoxycarbonylamino)ethoxy]ethyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethoxy]ethyl ester IUPAC Name: 2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]ethyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 2-[2-(tert-butoxycarbonylamino)ethoxy]ethyl ester Formula: C16H25NO6S MolecularWeight: 359.4378

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCNC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCOCCNC(=O)OC(C)(C)C

InChI

InChI=1S/C16H25NO6S/c1-13-5-7-14(8-6-13)24(19,20)22-12-11-21-10-9-17-15(18)23-16(2,3)4/h5-8H,9-12H2,1-4H3,(H,17,18)