N4-(1,3-benzodioxol-5-ylmethyl)-N1-phenethyl-benzene-1,4-disulfonamide

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N1-phenethyl-benzene-1,4-disulfonamide Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N1-phenethyl-benzene-1,4-disulfonamide CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N1-phenethylbenzene-1,4-disulfonamide IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-phenethylbenzene-1,4-disulfonamide Traditional Name: N-phenethyl-N'-piperonyl-benzene-1,4-disulfonamide Formula: C22H22N2O6S2 MolecularWeight: 474.54988

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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)NCCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNS(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C22H22N2O6S2/c25-31(26,23-13-12-17-4-2-1-3-5-17)19-7-9-20(10-8-19)32(27,28)24-15-18-6-11-21-22(14-18)30-16-29-21/h1-11,14,23-24H,12-13,15-16H2