2-bromanyl-N-[(3R,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide

Systemtic Name: 2-bromanyl-N-[(3R,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide Openeye Name: 2-bromo-N-[(3R,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide CAS Name: 2-bromo-N-[(3R,5S)-1-cyano-5-methyl-3-pyrrolidinyl]-5-(trifluoromethyl)benzenesulfonamide IUPAC Name: 2-bromo-N-[(3R,5S)-1-cyano-5-methylpyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide Traditional Name: 2-bromo-N-[(3R,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-5-(trifluoromethyl)benzenesulfonamide Formula: C13H13BrF3N3O2S MolecularWeight: 412.22543

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN1C#N)NS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Br

Isomeric SMILES

C[C@H]1C[C@H](CN1C#N)NS(=O)(=O)C2=C(C=CC(=C2)C(F)(F)F)Br

InChI

InChI=1S/C13H13BrF3N3O2S/c1-8-4-10(6-20(8)7-18)19-23(21,22)12-5-9(13(15,16)17)2-3-11(12)14/h2-3,5,8,10,19H,4,6H2,1H3/t8-,10+/m0/s1