N4,N4-dimethyl-N1-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-dimethyl-N1-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-dimethyl-N1-[3-[2-(2-thienyl)ethynyl]phenyl]benzene-1,4-disulfonamide CAS Name: N4,N4-dimethyl-N1-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-dimethyl-1-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,4-disulfonamide Traditional Name: N',N'-dimethyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzene-1,4-disulfonamide Formula: C20H18N2O4S3 MolecularWeight: 446.56292

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CS3

InChI

InChI=1S/C20H18N2O4S3/c1-22(2)29(25,26)20-12-10-19(11-13-20)28(23,24)21-17-6-3-5-16(15-17)8-9-18-7-4-14-27-18/h3-7,10-15,21H,1-2H3