2,5-bis(bromanyl)-N-[(3R,5R)-1-cyano-5-propan-2-yl-pyrrolidin-3-yl]benzenesulfonamide

Systemtic Name: 2,5-bis(bromanyl)-N-[(3R,5R)-1-cyano-5-propan-2-yl-pyrrolidin-3-yl]benzenesulfonamide Openeye Name: 2,5-dibromo-N-[(3R,5R)-1-cyano-5-isopropyl-pyrrolidin-3-yl]benzenesulfonamide CAS Name: 2,5-dibromo-N-[(3R,5R)-1-cyano-5-propan-2-yl-3-pyrrolidinyl]benzenesulfonamide IUPAC Name: 2,5-dibromo-N-[(3R,5R)-1-cyano-5-propan-2-ylpyrrolidin-3-yl]benzenesulfonamide Traditional Name: 2,5-dibromo-N-[(3R,5R)-1-cyano-5-isopropyl-pyrrolidin-3-yl]benzenesulfonamide Formula: C14H17Br2N3O2S MolecularWeight: 451.17668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC(CN1C#N)NS(=O)(=O)C2=C(C=CC(=C2)Br)Br

Isomeric SMILES

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

InChI

InChI=1S/C14H17Br2N3O2S/c1-9(2)13-6-11(7-19(13)8-17)18-22(20,21)14-5-10(15)3-4-12(14)16/h3-5,9,11,13,18H,6-7H2,1-2H3/t11-,13-/m1/s1