N-[(2R,3R)-4-bromanyl-3-oxidanyl-1-[(R)-phenylsulfinyl]butan-2-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(2R,3R)-4-bromanyl-3-oxidanyl-1-[(R)-phenylsulfinyl]butan-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-3-bromo-2-hydroxy-1-[[(R)-phenylsulfinyl]methyl]propyl]-2-nitro-benzenesulfonamide CAS Name: N-[(2R,3R)-4-bromo-3-hydroxy-1-[(R)-phenylsulfinyl]butan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2R,3R)-4-bromo-3-hydroxy-1-[(R)-phenylsulfinyl]butan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-3-bromo-2-hydroxy-1-[[(R)-phenylsulfinyl]methyl]propyl]-2-nitro-benzenesulfonamide Formula: C16H17BrN2O6S2 MolecularWeight: 477.34998

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)CC(C(CBr)O)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)[S@](=O)C[C@@H]([C@H](CBr)O)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H17BrN2O6S2/c17-10-15(20)13(11-26(23)12-6-2-1-3-7-12)18-27(24,25)16-9-5-4-8-14(16)19(21)22/h1-9,13,15,18,20H,10-11H2/t13-,15-,26+/m0/s1