(3,3-dimethyl-2-oxidanylidene-butyl) 4-chloranyl-3-[(4-fluorophenyl)-prop-2-enyl-sulfamoyl]benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 4-chloranyl-3-[(4-fluorophenyl)-prop-2-enyl-sulfamoyl]benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 3-[allyl-(4-fluorophenyl)sulfamoyl]-4-chloro-benzoate CAS Name: 4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 4-chloro-3-[(4-fluorophenyl)-prop-2-enylsulfamoyl]benzoate Traditional Name: 3-[allyl-(4-fluorophenyl)sulfamoyl]-4-chloro-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C22H23ClFNO5S MolecularWeight: 467.938123

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)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(C)(C)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/C22H23ClFNO5S/c1-5-12-25(17-9-7-16(24)8-10-17)31(28,29)19-13-15(6-11-18(19)23)21(27)30-14-20(26)22(2,3)4/h5-11,13H,1,12,14H2,2-4H3