N4,N4-diethyl-N1-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-diethyl-N1-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[2-[(2-fluorophenyl)methylthio]ethyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[2-[(2-fluorophenyl)methylsulfanyl]ethyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[2-[(2-fluorobenzyl)thio]ethyl]benzene-1,4-disulfonamide Formula: C19H25FN2O4S3 MolecularWeight: 460.606203

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCSCC2=CC=CC=C2F

InChI

InChI=1S/C19H25FN2O4S3/c1-3-22(4-2)29(25,26)18-11-9-17(10-12-18)28(23,24)21-13-14-27-15-16-7-5-6-8-19(16)20/h5-12,21H,3-4,13-15H2,1-2H3