N3-[3-(2-phenylethynyl)phenyl]benzene-1,3-disulfonamide

Systemtic Name: N3-[3-(2-phenylethynyl)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[3-(2-phenylethynyl)phenyl]benzene-1,3-disulfonamide CAS Name: N3-[3-(2-phenylethynyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[3-(2-phenylethynyl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[3-(2-phenylethynyl)phenyl]benzene-1,3-disulfonamide Formula: C20H16N2O4S2 MolecularWeight: 412.48204

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)N

InChI

InChI=1S/C20H16N2O4S2/c21-27(23,24)19-10-5-11-20(15-19)28(25,26)22-18-9-4-8-17(14-18)13-12-16-6-2-1-3-7-16/h1-11,14-15,22H,(H2,21,23,24)