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

Systemtic Name: [4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[2-(tert-butoxycarbonylamino)-3-methoxy-propyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[3-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]propyl]phenyl] ester IUPAC Name: [4-[3-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[2-(tert-butoxycarbonylamino)-3-methoxy-propyl]phenyl] ester Formula: C22H29NO6S MolecularWeight: 435.53376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29NO6S/c1-16-6-12-20(13-7-16)30(25,26)29-19-10-8-17(9-11-19)14-18(15-27-5)23-21(24)28-22(2,3)4/h6-13,18H,14-15H2,1-5H3,(H,23,24)