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

Systemtic Name: N4,N4-diethyl-N1-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[3-[2-(2-thienyl)ethynyl]phenyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[3-(2-thiophen-2-ylethynyl)phenyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[3-[2-(2-thienyl)ethynyl]phenyl]benzene-1,4-disulfonamide Formula: C22H22N2O4S3 MolecularWeight: 474.61608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22N2O4S3/c1-3-24(4-2)31(27,28)22-14-12-21(13-15-22)30(25,26)23-19-8-5-7-18(17-19)10-11-20-9-6-16-29-20/h5-9,12-17,23H,3-4H2,1-2H3