N-[(1R,2S)-1-(4-bromophenyl)-1-chloranyl-3-oxidanylidene-3-phenyl-propan-2-yl]-2-nitro-benzenesulfonamide

Systemtic Name: N-[(1R,2S)-1-(4-bromophenyl)-1-chloranyl-3-oxidanylidene-3-phenyl-propan-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1S,2R)-1-benzoyl-2-(4-bromophenyl)-2-chloro-ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2S)-1-(4-bromophenyl)-1-chloro-3-oxo-3-phenylpropan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2S)-1-(4-bromophenyl)-1-chloro-3-oxo-3-phenylpropan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1S,2R)-1-benzoyl-2-(4-bromophenyl)-2-chloro-ethyl]-2-nitro-benzenesulfonamide Formula: C21H16BrClN2O5S MolecularWeight: 523.78414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C(C(C2=CC=C(C=C2)Br)Cl)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)[C@@H]([C@@H](C2=CC=C(C=C2)Br)Cl)NS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H16BrClN2O5S/c22-16-12-10-14(11-13-16)19(23)20(21(26)15-6-2-1-3-7-15)24-31(29,30)18-9-5-4-8-17(18)25(27)28/h1-13,19-20,24H/t19-,20-/m1/s1