6-[(2-chloranyl-4-fluoranyl-phenyl)-(4-methoxy-2-methyl-4-oxidanylidene-butanoyl)sulfamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 6-[(2-chloranyl-4-fluoranyl-phenyl)-(4-methoxy-2-methyl-4-oxidanylidene-butanoyl)sulfamoyl]cyclohexene-1-carboxylic acid Openeye Name: 6-[(2-chloro-4-fluoro-phenyl)-(4-methoxy-2-methyl-4-oxo-butanoyl)sulfamoyl]cyclohexene-1-carboxylic acid CAS Name: 6-[(2-chloro-4-fluorophenyl)-(4-methoxy-2-methyl-1,4-dioxobutyl)sulfamoyl]-1-cyclohexenecarboxylic acid IUPAC Name: 6-[(2-chloro-4-fluorophenyl)-(4-methoxy-2-methyl-4-oxobutanoyl)sulfamoyl]cyclohexene-1-carboxylic acid Traditional Name: 6-[(2-chloro-4-fluoro-phenyl)-(4-keto-4-methoxy-2-methyl-butanoyl)sulfamoyl]cyclohexene-1-carboxylic acid Formula: C19H21ClFNO7S MolecularWeight: 461.888943

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)OC)C(=O)N(C1=C(C=C(C=C1)F)Cl)S(=O)(=O)C2CCCC=C2C(=O)O

Isomeric SMILES

CC(CC(=O)OC)C(=O)N(C1=C(C=C(C=C1)F)Cl)S(=O)(=O)C2CCCC=C2C(=O)O

InChI

InChI=1S/C19H21ClFNO7S/c1-11(9-17(23)29-2)18(24)22(15-8-7-12(21)10-14(15)20)30(27,28)16-6-4-3-5-13(16)19(25)26/h5,7-8,10-11,16H,3-4,6,9H2,1-2H3,(H,25,26)