N4,N4-diethyl-N1-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-diethyl-N1-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[3-[(4-fluorophenyl)thio]propyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[3-(4-fluorophenyl)sulfanylpropyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[3-[(4-fluorophenyl)thio]propyl]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)NCCCSC2=CC=C(C=C2)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NCCCSC2=CC=C(C=C2)F

InChI

InChI=1S/C19H25FN2O4S3/c1-3-22(4-2)29(25,26)19-12-10-18(11-13-19)28(23,24)21-14-5-15-27-17-8-6-16(20)7-9-17/h6-13,21H,3-5,14-15H2,1-2H3