N4,N4-diethyl-N1-[(4-fluorophenyl)-thiophen-2-yl-methyl]benzene-1,4-disulfonamide

Systemtic Name: N4,N4-diethyl-N1-[(4-fluorophenyl)-thiophen-2-yl-methyl]benzene-1,4-disulfonamide Openeye Name: N4,N4-diethyl-N1-[(4-fluorophenyl)-(2-thienyl)methyl]benzene-1,4-disulfonamide CAS Name: N4,N4-diethyl-N1-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzene-1,4-disulfonamide IUPAC Name: 4-N,4-N-diethyl-1-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzene-1,4-disulfonamide Traditional Name: N',N'-diethyl-N-[(4-fluorophenyl)-(2-thienyl)methyl]benzene-1,4-disulfonamide Formula: C21H23FN2O4S3 MolecularWeight: 482.611723

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)S(=O)(=O)NC(C2=CC=C(C=C2)F)C3=CC=CS3

InChI

InChI=1S/C21H23FN2O4S3/c1-3-24(4-2)31(27,28)19-13-11-18(12-14-19)30(25,26)23-21(20-6-5-15-29-20)16-7-9-17(22)10-8-16/h5-15,21,23H,3-4H2,1-2H3