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

Systemtic Name: N-[4-nitro-2-(2-phenylethynyl)phenyl]methanesulfonamide Openeye Name: N-[4-nitro-2-(2-phenylethynyl)phenyl]methanesulfonamide CAS Name: N-[4-nitro-2-(2-phenylethynyl)phenyl]methanesulfonamide IUPAC Name: N-[4-nitro-2-(2-phenylethynyl)phenyl]methanesulfonamide Traditional Name: N-[4-nitro-2-(2-phenylethynyl)phenyl]methanesulfonamide Formula: C15H12N2O4S MolecularWeight: 316.33178

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#CC2=CC=CC=C2

Isomeric SMILES

CS(=O)(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])C#CC2=CC=CC=C2

InChI

InChI=1S/C15H12N2O4S/c1-22(20,21)16-15-10-9-14(17(18)19)11-13(15)8-7-12-5-3-2-4-6-12/h2-6,9-11,16H,1H3