N-(2,4-dimethyl-5-pyrrolidin-1-yl-phenyl)-1,1,1-tris(fluoranyl)methanesulfonamide

Systemtic Name: N-(2,4-dimethyl-5-pyrrolidin-1-yl-phenyl)-1,1,1-tris(fluoranyl)methanesulfonamide Openeye Name: N-(2,4-dimethyl-5-pyrrolidin-1-yl-phenyl)-1,1,1-trifluoro-methanesulfonamide CAS Name: N-[2,4-dimethyl-5-(1-pyrrolidinyl)phenyl]-1,1,1-trifluoromethanesulfonamide IUPAC Name: N-(2,4-dimethyl-5-pyrrolidin-1-ylphenyl)-1,1,1-trifluoromethanesulfonamide Traditional Name: N-(2,4-dimethyl-5-pyrrolidino-phenyl)-1,1,1-trifluoro-methanesulfonamide Formula: C13H17F3N2O2S MolecularWeight: 322.34649

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1N2CCCC2)NS(=O)(=O)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1N2CCCC2)NS(=O)(=O)C(F)(F)F)C

InChI

InChI=1S/C13H17F3N2O2S/c1-9-7-10(2)12(18-5-3-4-6-18)8-11(9)17-21(19,20)13(14,15)16/h7-8,17H,3-6H2,1-2H3