N4-[(2-fluorophenyl)methyl]-N1-methyl-N1,N4-bis(phenylmethyl)benzene-1,4-disulfonamide

Systemtic Name: N4-[(2-fluorophenyl)methyl]-N1-methyl-N1,N4-bis(phenylmethyl)benzene-1,4-disulfonamide Openeye Name: N1,N4-dibenzyl-N4-[(2-fluorophenyl)methyl]-N1-methyl-benzene-1,4-disulfonamide CAS Name: N4-[(2-fluorophenyl)methyl]-N1-methyl-N1,N4-bis(phenylmethyl)benzene-1,4-disulfonamide IUPAC Name: 1-N,4-N-dibenzyl-4-N-[(2-fluorophenyl)methyl]-1-N-methylbenzene-1,4-disulfonamide Traditional Name: N,N'-dibenzyl-N'-(2-fluorobenzyl)-N-methyl-benzene-1,4-disulfonamide Formula: C28H27FN2O4S2 MolecularWeight: 538.653383

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4F

Isomeric SMILES

CN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=CC=C3)CC4=CC=CC=C4F

InChI

InChI=1S/C28H27FN2O4S2/c1-30(20-23-10-4-2-5-11-23)36(32,33)26-16-18-27(19-17-26)37(34,35)31(21-24-12-6-3-7-13-24)22-25-14-8-9-15-28(25)29/h2-19H,20-22H2,1H3