[4-bromanyl-2-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]-6-methoxy-phenyl] tris(fluoranyl)methanesulfonate

Systemtic Name: [4-bromanyl-2-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]-6-methoxy-phenyl] tris(fluoranyl)methanesulfonate Openeye Name: [4-bromo-2-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]-6-methoxy-phenyl] trifluoromethanesulfonate CAS Name: trifluoromethanesulfonic acid [4-bromo-2-[[[(2S)-1-ethyl-2-pyrrolidinyl]methylamino]-oxomethyl]-6-methoxyphenyl] ester IUPAC Name: [4-bromo-2-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]-6-methoxyphenyl] trifluoromethanesulfonate Traditional Name: trifluoromethanesulfonic acid [4-bromo-2-[[(2S)-1-ethylpyrrolidin-2-yl]methylcarbamoyl]-6-methoxy-phenyl] ester Formula: C16H20BrF3N2O5S MolecularWeight: 489.30461

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC1CNC(=O)C2=CC(=CC(=C2OS(=O)(=O)C(F)(F)F)OC)Br

Isomeric SMILES

CCN1CCC[C@H]1CNC(=O)C2=CC(=CC(=C2OS(=O)(=O)C(F)(F)F)OC)Br

InChI

InChI=1S/C16H20BrF3N2O5S/c1-3-22-6-4-5-11(22)9-21-15(23)12-7-10(17)8-13(26-2)14(12)27-28(24,25)16(18,19)20/h7-8,11H,3-6,9H2,1-2H3,(H,21,23)/t11-/m0/s1