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

Systemtic Name: N-[(2R,3R)-4-bromanyl-1-[(S)-(4-methylphenyl)sulfinyl]-3-oxidanyl-butan-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1R,2R)-3-bromo-2-hydroxy-1-[[(S)-p-tolylsulfinyl]methyl]propyl]-2-nitro-benzenesulfonamide CAS Name: N-[(2R,3R)-4-bromo-3-hydroxy-1-[(S)-(4-methylphenyl)sulfinyl]butan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(2R,3R)-4-bromo-3-hydroxy-1-[(S)-(4-methylphenyl)sulfinyl]butan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1R,2R)-3-bromo-2-hydroxy-1-[[(S)-p-tolylsulfinyl]methyl]propyl]-2-nitro-benzenesulfonamide Formula: C17H19BrN2O6S2 MolecularWeight: 491.37656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)CC(C(CBr)O)NS(=O)(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=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/C17H19BrN2O6S2/c1-12-6-8-13(9-7-12)27(24)11-14(16(21)10-18)19-28(25,26)17-5-3-2-4-15(17)20(22)23/h2-9,14,16,19,21H,10-11H2,1H3/t14-,16-,27-/m0/s1