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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N4-[(4-methylphenyl)methyl]-N1-(phenylmethyl)benzene-1,4-disulfonamide Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N1-benzyl-N4-(p-tolylmethyl)benzene-1,4-disulfonamide CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N4-[(4-methylphenyl)methyl]-N1-(phenylmethyl)benzene-1,4-disulfonamide IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-benzyl-4-N-[(4-methylphenyl)methyl]benzene-1,4-disulfonamide Traditional Name: N-benzyl-N'-(4-methylbenzyl)-N'-piperonyl-benzene-1,4-disulfonamide Formula: C29H28N2O6S2 MolecularWeight: 564.67242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)S(=O)(=O)C4=CC=C(C=C4)S(=O)(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C29H28N2O6S2/c1-22-7-9-24(10-8-22)19-31(20-25-11-16-28-29(17-25)37-21-36-28)39(34,35)27-14-12-26(13-15-27)38(32,33)30-18-23-5-3-2-4-6-23/h2-17,30H,18-21H2,1H3