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

Systemtic Name: 3-bromanyl-N-[(3R,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]benzenesulfonamide Openeye Name: 3-bromo-N-[(3R,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]benzenesulfonamide CAS Name: 3-bromo-N-[(3R,5S)-1-cyano-5-methyl-3-pyrrolidinyl]benzenesulfonamide IUPAC Name: 3-bromo-N-[(3R,5S)-1-cyano-5-methylpyrrolidin-3-yl]benzenesulfonamide Traditional Name: 3-bromo-N-[(3R,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]benzenesulfonamide Formula: C12H14BrN3O2S MolecularWeight: 344.22746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrN3O2S/c1-9-5-11(7-16(9)8-14)15-19(17,18)12-4-2-3-10(13)6-12/h2-4,6,9,11,15H,5,7H2,1H3/t9-,11+/m0/s1