4,4-bis(4-fluorophenyl)butyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: 4,4-bis(4-fluorophenyl)butyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: 4,4-bis(4-fluorophenyl)butyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 4,4-bis(4-fluorophenyl)butyl ester IUPAC Name: 4,4-bis(4-fluorophenyl)butyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid 4,4-bis(4-fluorophenyl)butyl ester Formula: C26H24F2N2O4S MolecularWeight: 498.541566

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)C3=CC=C(C=C3)F)F

Isomeric SMILES

C1=CC(=CC=C1C(CCCOC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N)C3=CC=C(C=C3)F)F

InChI

InChI=1S/C26H24F2N2O4S/c27-22-10-4-19(5-11-22)25(20-6-12-23(28)13-7-20)3-1-18-34-26(31)21-8-14-24(15-9-21)35(32,33)30-17-2-16-29/h4-15,25,30H,1-3,17-18H2