[2-[(cyclohexylcarbonylamino)methyl]-1,4-benzodioxin-6-yl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-[(cyclohexylcarbonylamino)methyl]-1,4-benzodioxin-6-yl] tris(fluoranyl)methanesulfonate Openeye Name: [2-[(cyclohexanecarbonylamino)methyl]-1,4-benzodioxin-6-yl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-[[[cyclohexyl(oxo)methyl]amino]methyl]-1,4-benzodioxin-6-yl] ester IUPAC Name: [2-[(cyclohexanecarbonylamino)methyl]-1,4-benzodioxin-6-yl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-[(cyclohexanecarbonylamino)methyl]-1,4-benzodioxin-6-yl] ester Formula: C17H18F3NO6S MolecularWeight: 421.38813

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NCC2=COC3=C(O2)C=CC(=C3)OS(=O)(=O)C(F)(F)F

Isomeric SMILES

C1CCC(CC1)C(=O)NCC2=COC3=C(O2)C=CC(=C3)OS(=O)(=O)C(F)(F)F

InChI

InChI=1S/C17H18F3NO6S/c18-17(19,20)28(23,24)27-12-6-7-14-15(8-12)25-10-13(26-14)9-21-16(22)11-4-2-1-3-5-11/h6-8,10-11H,1-5,9H2,(H,21,22)