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

Systemtic Name: N3-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,3-disulfonamide Openeye Name: N3-[3-[2-(2-thienyl)ethynyl]phenyl]benzene-1,3-disulfonamide CAS Name: N3-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,3-disulfonamide IUPAC Name: 3-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,3-disulfonamide Traditional Name: N'-[3-[2-(2-thienyl)ethynyl]phenyl]benzene-1,3-disulfonamide Formula: C18H14N2O4S3 MolecularWeight: 418.50976

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)C#CC3=CC=CS3

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)C#CC3=CC=CS3

InChI

InChI=1S/C18H14N2O4S3/c19-26(21,22)17-7-2-8-18(13-17)27(23,24)20-15-5-1-4-14(12-15)9-10-16-6-3-11-25-16/h1-8,11-13,20H,(H2,19,21,22)