6-[(2-acetyloxy-2-phenyl-ethanoyl)-(2-chloranyl-4-fluoranyl-phenyl)sulfamoyl]cyclohexene-1-carboxylic acid

Systemtic Name: 6-[(2-acetyloxy-2-phenyl-ethanoyl)-(2-chloranyl-4-fluoranyl-phenyl)sulfamoyl]cyclohexene-1-carboxylic acid Openeye Name: 6-[(2-acetoxy-2-phenyl-acetyl)-(2-chloro-4-fluoro-phenyl)sulfamoyl]cyclohexene-1-carboxylic acid CAS Name: 6-[(2-acetyloxy-1-oxo-2-phenylethyl)-(2-chloro-4-fluorophenyl)sulfamoyl]-1-cyclohexenecarboxylic acid IUPAC Name: 6-[(2-acetyloxy-2-phenylacetyl)-(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylic acid Traditional Name: 6-[(2-acetoxy-2-phenyl-acetyl)-(2-chloro-4-fluoro-phenyl)sulfamoyl]cyclohexene-1-carboxylic acid Formula: C23H21ClFNO7S MolecularWeight: 509.931743

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C(=O)N(C2=C(C=C(C=C2)F)Cl)S(=O)(=O)C3CCCC=C3C(=O)O

Isomeric SMILES

CC(=O)OC(C1=CC=CC=C1)C(=O)N(C2=C(C=C(C=C2)F)Cl)S(=O)(=O)C3CCCC=C3C(=O)O

InChI

InChI=1S/C23H21ClFNO7S/c1-14(27)33-21(15-7-3-2-4-8-15)22(28)26(19-12-11-16(25)13-18(19)24)34(31,32)20-10-6-5-9-17(20)23(29)30/h2-4,7-9,11-13,20-21H,5-6,10H2,1H3,(H,29,30)