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

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxy-ethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [4-[2-benzyloxy-2-(tert-butoxycarbonylamino)ethyl]phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [4-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-2-phenylmethoxyethyl]phenyl] ester IUPAC Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyethyl]phenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [4-[2-benzoxy-2-(tert-butoxycarbonylamino)ethyl]phenyl] ester Formula: C27H31NO6S MolecularWeight: 497.60314

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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)OCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C(C=C2)CC(NC(=O)OC(C)(C)C)OCC3=CC=CC=C3

InChI

InChI=1S/C27H31NO6S/c1-20-10-16-24(17-11-20)35(30,31)34-23-14-12-21(13-15-23)18-25(28-26(29)33-27(2,3)4)32-19-22-8-6-5-7-9-22/h5-17,25H,18-19H2,1-4H3,(H,28,29)