[2-[(4,4-dimethylcyclohexen-1-yl)carbonyl-methyl-amino]phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [2-[(4,4-dimethylcyclohexen-1-yl)carbonyl-methyl-amino]phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [2-[(4,4-dimethylcyclohexene-1-carbonyl)-methyl-amino]phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [2-[[(4,4-dimethyl-1-cyclohexenyl)-oxomethyl]-methylamino]phenyl] ester IUPAC Name: [2-[(4,4-dimethylcyclohexene-1-carbonyl)-methylamino]phenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [2-[(4,4-dimethylcyclohexene-1-carbonyl)-methyl-amino]phenyl] ester Formula: C17H20F3NO4S MolecularWeight: 391.40521

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC(=CC1)C(=O)N(C)C2=CC=CC=C2OS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1(CCC(=CC1)C(=O)N(C)C2=CC=CC=C2OS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C17H20F3NO4S/c1-16(2)10-8-12(9-11-16)15(22)21(3)13-6-4-5-7-14(13)25-26(23,24)17(18,19)20/h4-8H,9-11H2,1-3H3