2,6-dinitro-N-[(1S,2R)-2-oxidanyl-1,2-diphenyl-ethyl]benzenesulfonamide

Systemtic Name: 2,6-dinitro-N-[(1S,2R)-2-oxidanyl-1,2-diphenyl-ethyl]benzenesulfonamide Openeye Name: N-[(1S,2R)-2-hydroxy-1,2-diphenyl-ethyl]-2,6-dinitro-benzenesulfonamide CAS Name: N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-2,6-dinitrobenzenesulfonamide IUPAC Name: N-[(1S,2R)-2-hydroxy-1,2-diphenylethyl]-2,6-dinitrobenzenesulfonamide Traditional Name: N-[(1S,2R)-2-hydroxy-1,2-diphenyl-ethyl]-2,6-dinitro-benzenesulfonamide Formula: C20H17N3O7S MolecularWeight: 443.42988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3O7S/c24-19(15-10-5-2-6-11-15)18(14-8-3-1-4-9-14)21-31(29,30)20-16(22(25)26)12-7-13-17(20)23(27)28/h1-13,18-19,21,24H/t18-,19+/m0/s1