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

Systemtic Name: [4-[2-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[2-(tert-butoxycarbonylamino)-2-methoxy-ethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[2-methoxy-2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]phenyl] ester IUPAC Name: [4-[2-methoxy-2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[2-(tert-butoxycarbonylamino)-2-methoxy-ethyl]phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S/c1-15-6-12-18(13-7-15)29(24,25)28-17-10-8-16(9-11-17)14-19(26-5)22-20(23)27-21(2,3)4/h6-13,19H,14H2,1-5H3,(H,22,23)