(4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-chloranyl-3-[(4-fluorophenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: (4-azanylidene-3-cyano-2-oxidanylidene-pentyl) 4-chloranyl-3-[(4-fluorophenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: (3-cyano-4-imino-2-oxo-pentyl) 3-[allyl-(4-fluorophenyl)sulfamoyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoic acid (3-cyano-4-imino-2-oxopentyl) ester IUPAC Name: (3-cyano-4-imino-2-oxopentyl) 4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 3-[allyl-(4-fluorophenyl)sulfamoyl]-4-chloro-benzoic acid (3-cyano-4-imino-2-keto-pentyl) ester Formula: C22H19ClFN3O5S MolecularWeight: 491.919763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N(CC=C)C2=CC=C(C=C2)F

Isomeric SMILES

CC(=N)C(C#N)C(=O)COC(=O)C1=CC(=C(C=C1)Cl)S(=O)(=O)N(CC=C)C2=CC=C(C=C2)F

InChI

InChI=1S/C22H19ClFN3O5S/c1-3-10-27(17-7-5-16(24)6-8-17)33(30,31)21-11-15(4-9-19(21)23)22(29)32-13-20(28)18(12-25)14(2)26/h3-9,11,18,26H,1,10,13H2,2H3