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

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxy-ethyl]phenyl] benzenesulfonate Openeye Name: [4-[2-benzyloxy-2-(tert-butoxycarbonylamino)ethyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic 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] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[2-benzoxy-2-(tert-butoxycarbonylamino)ethyl]phenyl] ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H29NO6S/c1-26(2,3)32-25(28)27-24(31-19-21-10-6-4-7-11-21)18-20-14-16-22(17-15-20)33-34(29,30)23-12-8-5-9-13-23/h4-17,24H,18-19H2,1-3H3,(H,27,28)