4-nitro-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide

Systemtic Name: 4-nitro-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide Openeye Name: 4-nitro-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide CAS Name: 4-nitro-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide IUPAC Name: 4-nitro-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide Traditional Name: 4-nitro-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide Formula: C20H14N2O4S MolecularWeight: 378.40116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H14N2O4S/c23-22(24)18-12-14-19(15-13-18)27(25,26)21-20-9-5-4-8-17(20)11-10-16-6-2-1-3-7-16/h1-9,12-15,21H