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

Systemtic Name: 2,5-bis(bromanyl)-N-[(3S,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-cyclobutyl-benzenesulfonamide Openeye Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-cyclobutyl-benzenesulfonamide CAS Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methyl-3-pyrrolidinyl]-N-cyclobutylbenzenesulfonamide IUPAC Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methylpyrrolidin-3-yl]-N-cyclobutylbenzenesulfonamide Traditional Name: 2,5-dibromo-N-[(3S,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-N-cyclobutyl-benzenesulfonamide Formula: C16H19Br2N3O2S MolecularWeight: 477.21396

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN1C#N)N(C2CCC2)S(=O)(=O)C3=C(C=CC(=C3)Br)Br

Isomeric SMILES

C[C@H]1C[C@@H](CN1C#N)N(C2CCC2)S(=O)(=O)C3=C(C=CC(=C3)Br)Br

InChI

InChI=1S/C16H19Br2N3O2S/c1-11-7-14(9-20(11)10-19)21(13-3-2-4-13)24(22,23)16-8-12(17)5-6-15(16)18/h5-6,8,11,13-14H,2-4,7,9H2,1H3/t11-,14-/m0/s1