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

Systemtic Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(trifluoromethyl)phenyl] methanesulfonate Openeye Name: [2-(tert-butoxycarbonylamino)-4-(trifluoromethyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-4-(trifluoromethyl)phenyl] ester IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-(trifluoromethyl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-(tert-butoxycarbonylamino)-4-(trifluoromethyl)phenyl] ester Formula: C13H16F3NO5S MolecularWeight: 355.33005

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OS(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)NC1=C(C=CC(=C1)C(F)(F)F)OS(=O)(=O)C

InChI

InChI=1S/C13H16F3NO5S/c1-12(2,3)21-11(18)17-9-7-8(13(14,15)16)5-6-10(9)22-23(4,19)20/h5-7H,1-4H3,(H,17,18)