N4-(1,3-benzodioxol-5-ylmethyl)-N1-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N1-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N1-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N1-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-[(4-fluorophenyl)methyl]benzene-1,4-disulfonamide Traditional Name: N-(4-fluorobenzyl)-N'-piperonyl-benzene-1,4-disulfonamide Formula: C21H19FN2O6S2 MolecularWeight: 478.513763

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C21H19FN2O6S2/c22-17-4-1-15(2-5-17)12-23-31(25,26)18-6-8-19(9-7-18)32(27,28)24-13-16-3-10-20-21(11-16)30-14-29-20/h1-11,23-24H,12-14H2