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

Systemtic Name: N-[(1R,2S)-1-chloranyl-1-(4-nitrophenyl)-3-oxidanylidene-3-phenyl-propan-2-yl]-2-nitro-benzenesulfonamide Openeye Name: N-[(1S,2R)-1-benzoyl-2-chloro-2-(4-nitrophenyl)ethyl]-2-nitro-benzenesulfonamide CAS Name: N-[(1R,2S)-1-chloro-1-(4-nitrophenyl)-3-oxo-3-phenylpropan-2-yl]-2-nitrobenzenesulfonamide IUPAC Name: N-[(1R,2S)-1-chloro-1-(4-nitrophenyl)-3-oxo-3-phenylpropan-2-yl]-2-nitrobenzenesulfonamide Traditional Name: N-[(1S,2R)-1-benzoyl-2-chloro-2-(4-nitrophenyl)ethyl]-2-nitro-benzenesulfonamide Formula: C21H16ClN3O7S MolecularWeight: 489.88564

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H16ClN3O7S/c22-19(14-10-12-16(13-11-14)24(27)28)20(21(26)15-6-2-1-3-7-15)23-33(31,32)18-9-5-4-8-17(18)25(29)30/h1-13,19-20,23H/t19-,20-/m1/s1