4-methoxy-2-nitro-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide

Systemtic Name: 4-methoxy-2-nitro-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide Openeye Name: 4-methoxy-2-nitro-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide CAS Name: 4-methoxy-2-nitro-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide IUPAC Name: 4-methoxy-2-nitro-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide Traditional Name: 4-methoxy-2-nitro-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide Formula: C21H16N2O5S MolecularWeight: 408.42714

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N2O5S/c1-28-19-12-13-21(20(15-19)23(24)25)29(26,27)22-18-9-5-8-17(14-18)11-10-16-6-3-2-4-7-16/h2-9,12-15,22H,1H3