[1-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]-2-phenylmethoxy-ethyl] methanesulfonate

Systemtic Name: [1-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]-2-phenylmethoxy-ethyl] methanesulfonate Openeye Name: [2-benzyloxy-1-[1-[(tert-butoxycarbonylamino)methyl]cyclohexyl]ethyl] methanesulfonate CAS Name: methanesulfonic acid [1-[1-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]cyclohexyl]-2-phenylmethoxyethyl] ester IUPAC Name: [1-[1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]cyclohexyl]-2-phenylmethoxyethyl] methanesulfonate Traditional Name: methanesulfonic acid [2-benzoxy-1-[1-[(tert-butoxycarbonylamino)methyl]cyclohexyl]ethyl] ester Formula: C22H35NO6S MolecularWeight: 441.5814

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1(CCCCC1)C(COCC2=CC=CC=C2)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NCC1(CCCCC1)C(COCC2=CC=CC=C2)OS(=O)(=O)C

InChI

InChI=1S/C22H35NO6S/c1-21(2,3)28-20(24)23-17-22(13-9-6-10-14-22)19(29-30(4,25)26)16-27-15-18-11-7-5-8-12-18/h5,7-8,11-12,19H,6,9-10,13-17H2,1-4H3,(H,23,24)