[2-bromanyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxidanyl-phenyl] methanesulfonate

Systemtic Name: [2-bromanyl-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-4-oxidanyl-phenyl] methanesulfonate Openeye Name: [2-bromo-3-[2-(tert-butoxycarbonylamino)ethyl]-4-hydroxy-phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-bromo-4-hydroxy-3-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]ethyl]phenyl] ester IUPAC Name: [2-bromo-4-hydroxy-3-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-bromo-3-[2-(tert-butoxycarbonylamino)ethyl]-4-hydroxy-phenyl] ester Formula: C14H20BrNO6S MolecularWeight: 410.2807

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=C(C=CC(=C1Br)OS(=O)(=O)C)O

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=C(C=CC(=C1Br)OS(=O)(=O)C)O

InChI

InChI=1S/C14H20BrNO6S/c1-14(2,3)21-13(18)16-8-7-9-10(17)5-6-11(12(9)15)22-23(4,19)20/h5-6,17H,7-8H2,1-4H3,(H,16,18)