[4-[4-bromanyl-2,5-dimethoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-fluoranyl-phenyl] methanesulfonate

Systemtic Name: [4-[4-bromanyl-2,5-dimethoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-fluoranyl-phenyl] methanesulfonate Openeye Name: [4-[4-bromo-3-(tert-butoxycarbonylamino)-2,5-dimethoxy-phenyl]-2-fluoro-phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-bromo-2,5-dimethoxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-2-fluorophenyl] ester IUPAC Name: [4-[4-bromo-2,5-dimethoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-2-fluorophenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-bromo-3-(tert-butoxycarbonylamino)-2,5-dimethoxy-phenyl]-2-fluoro-phenyl] ester Formula: C20H23BrFNO7S MolecularWeight: 520.366523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C(=CC(=C1Br)OC)C2=CC(=C(C=C2)OS(=O)(=O)C)F)OC

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C(=CC(=C1Br)OC)C2=CC(=C(C=C2)OS(=O)(=O)C)F)OC

InChI

InChI=1S/C20H23BrFNO7S/c1-20(2,3)29-19(24)23-17-16(21)15(27-4)10-12(18(17)28-5)11-7-8-14(13(22)9-11)30-31(6,25)26/h7-10H,1-6H3,(H,23,24)