2-(2-fluorophenyl)sulfanylethyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: 2-(2-fluorophenyl)sulfanylethyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: 2-(2-fluorophenyl)sulfanylethyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 2-[(2-fluorophenyl)thio]ethyl ester IUPAC Name: 2-(2-fluorophenyl)sulfanylethyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 2-[(2-fluorophenyl)thio]ethyl ester Formula: C18H17FN2O4S2 MolecularWeight: 408.466983

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)F)SCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

C1=CC=C(C(=C1)F)SCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C18H17FN2O4S2/c19-16-4-1-2-5-17(16)26-13-12-25-18(22)14-6-8-15(9-7-14)27(23,24)21-11-3-10-20/h1-2,4-9,21H,3,11-13H2