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

Systemtic Name: [4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxy-ethyl]phenyl] methanesulfonate Openeye Name: [4-[2-benzyloxy-2-(tert-butoxycarbonylamino)ethyl]phenyl] methanesulfonate CAS Name: methanesulfonic 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] methanesulfonate Traditional Name: methanesulfonic acid [4-[2-benzoxy-2-(tert-butoxycarbonylamino)ethyl]phenyl] ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C21H27NO6S/c1-21(2,3)27-20(23)22-19(26-15-17-8-6-5-7-9-17)14-16-10-12-18(13-11-16)28-29(4,24)25/h5-13,19H,14-15H2,1-4H3,(H,22,23)