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

Systemtic Name: 2-bromanyl-N-[(3R,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-5-nitro-benzenesulfonamide Openeye Name: 2-bromo-N-[(3R,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-5-nitro-benzenesulfonamide CAS Name: 2-bromo-N-[(3R,5S)-1-cyano-5-methyl-3-pyrrolidinyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-bromo-N-[(3R,5S)-1-cyano-5-methylpyrrolidin-3-yl]-5-nitrobenzenesulfonamide Traditional Name: 2-bromo-N-[(3R,5S)-1-cyano-5-methyl-pyrrolidin-3-yl]-5-nitro-benzenesulfonamide Formula: C12H13BrN4O4S MolecularWeight: 389.22502

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN1C#N)NS(=O)(=O)C2=C(C=CC(=C2)[N+](=O)[O-])Br

Isomeric SMILES

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

InChI

InChI=1S/C12H13BrN4O4S/c1-8-4-9(6-16(8)7-14)15-22(20,21)12-5-10(17(18)19)2-3-11(12)13/h2-3,5,8-9,15H,4,6H2,1H3/t8-,9+/m0/s1