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

Systemtic Name: [4-[4-bromanyl-2,5-dimethoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl] methanesulfonate Openeye Name: [4-[4-bromo-3-(tert-butoxycarbonylamino)-2,5-dimethoxy-phenyl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[4-bromo-2,5-dimethoxy-3-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]phenyl] ester IUPAC Name: [4-[4-bromo-2,5-dimethoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[4-bromo-3-(tert-butoxycarbonylamino)-2,5-dimethoxy-phenyl]phenyl] ester Formula: C20H24BrNO7S MolecularWeight: 502.37606

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H24BrNO7S/c1-20(2,3)28-19(23)22-17-16(21)15(26-4)11-14(18(17)27-5)12-7-9-13(10-8-12)29-30(6,24)25/h7-11H,1-6H3,(H,22,23)