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

Systemtic Name: N1-ethyl-N4-[(4-fluorophenyl)methyl]-N4-(furan-2-ylmethyl)-N1-(phenylmethyl)benzene-1,4-disulfonamide Openeye Name: N1-benzyl-N1-ethyl-N4-[(4-fluorophenyl)methyl]-N4-(2-furylmethyl)benzene-1,4-disulfonamide CAS Name: N1-ethyl-N4-[(4-fluorophenyl)methyl]-N4-(2-furanylmethyl)-N1-(phenylmethyl)benzene-1,4-disulfonamide IUPAC Name: 1-N-benzyl-1-N-ethyl-4-N-[(4-fluorophenyl)methyl]-4-N-(furan-2-ylmethyl)benzene-1,4-disulfonamide Traditional Name: N-benzyl-N-ethyl-N'-(4-fluorobenzyl)-N'-(2-furfuryl)benzene-1,4-disulfonamide Formula: C27H27FN2O5S2 MolecularWeight: 542.642083

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)F)CC4=CC=CO4

Isomeric SMILES

CCN(CC1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)S(=O)(=O)N(CC3=CC=C(C=C3)F)CC4=CC=CO4

InChI

InChI=1S/C27H27FN2O5S2/c1-2-29(19-22-7-4-3-5-8-22)36(31,32)26-14-16-27(17-15-26)37(33,34)30(21-25-9-6-18-35-25)20-23-10-12-24(28)13-11-23/h3-18H,2,19-21H2,1H3