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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-N1-cyclohexyl-N4-[(4-fluorophenyl)methyl]-N1-methyl-benzene-1,4-disulfonamide Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-N1-cyclohexyl-N4-[(4-fluorophenyl)methyl]-N1-methyl-benzene-1,4-disulfonamide CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-N1-cyclohexyl-N4-[(4-fluorophenyl)methyl]-N1-methylbenzene-1,4-disulfonamide IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-1-N-cyclohexyl-4-N-[(4-fluorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide Traditional Name: N-cyclohexyl-N'-(4-fluorobenzyl)-N-methyl-N'-piperonyl-benzene-1,4-disulfonamide Formula: C28H31FN2O6S2 MolecularWeight: 574.683943

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CN(C1CCCCC1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)F)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C28H31FN2O6S2/c1-30(24-5-3-2-4-6-24)38(32,33)25-12-14-26(15-13-25)39(34,35)31(18-21-7-10-23(29)11-8-21)19-22-9-16-27-28(17-22)37-20-36-27/h7-17,24H,2-6,18-20H2,1H3