N4-(1,3-benzodioxol-5-ylmethyl)-N1-cyclopropyl-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N1-cyclopropyl-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N1-cyclopropyl-N4-(2-thienylmethyl)benzene-1,4-disulfonamide CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N1-cyclopropyl-N4-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)benzene-1,4-disulfonamide Traditional Name: N-cyclopropyl-N'-piperonyl-N'-(2-thenyl)benzene-1,4-disulfonamide Formula: C22H22N2O6S3 MolecularWeight: 506.61488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC4=C(C=C3)OCO4)CC5=CC=CS5

Isomeric SMILES

C1CC1NS(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC4=C(C=C3)OCO4)CC5=CC=CS5

InChI

InChI=1S/C22H22N2O6S3/c25-32(26,23-17-4-5-17)19-6-8-20(9-7-19)33(27,28)24(14-18-2-1-11-31-18)13-16-3-10-21-22(12-16)30-15-29-21/h1-3,6-12,17,23H,4-5,13-15H2