N1,N1-diethyl-N4-(oxolan-2-ylmethyl)-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide

Systemtic Name: N1,N1-diethyl-N4-(oxolan-2-ylmethyl)-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide Openeye Name: N1,N1-diethyl-N4-(tetrahydrofuran-2-ylmethyl)-N4-(2-thienylmethyl)benzene-1,4-disulfonamide CAS Name: N1,N1-diethyl-N4-(2-oxolanylmethyl)-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide IUPAC Name: 1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide Traditional Name: N,N-diethyl-N'-(tetrahydrofurfuryl)-N'-(2-thenyl)benzene-1,4-disulfonamide Formula: C20H28N2O5S3 MolecularWeight: 472.64172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2CCCO2)CC3=CC=CS3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)N(CC2CCCO2)CC3=CC=CS3

InChI

InChI=1S/C20H28N2O5S3/c1-3-21(4-2)29(23,24)19-9-11-20(12-10-19)30(25,26)22(15-17-7-5-13-27-17)16-18-8-6-14-28-18/h6,8-12,14,17H,3-5,7,13,15-16H2,1-2H3