ethyl 2-[[(2S)-2-acetyloxy-2-phenyl-ethanoyl]-(2-chloranyl-4-fluoranyl-phenyl)sulfamoyl]cyclohexene-1-carboxylate

Systemtic Name: ethyl 2-[[(2S)-2-acetyloxy-2-phenyl-ethanoyl]-(2-chloranyl-4-fluoranyl-phenyl)sulfamoyl]cyclohexene-1-carboxylate Openeye Name: ethyl 2-[[(2S)-2-acetoxy-2-phenyl-acetyl]-(2-chloro-4-fluoro-phenyl)sulfamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[(2S)-2-acetyloxy-1-oxo-2-phenylethyl]-(2-chloro-4-fluorophenyl)sulfamoyl]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(2S)-2-acetyloxy-2-phenylacetyl]-(2-chloro-4-fluorophenyl)sulfamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[[(2S)-2-acetoxy-2-phenyl-acetyl]-(2-chloro-4-fluoro-phenyl)sulfamoyl]cyclohexene-1-carboxylic acid ethyl ester Formula: C25H25ClFNO7S MolecularWeight: 537.984903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CCCC1)S(=O)(=O)N(C2=C(C=C(C=C2)F)Cl)C(=O)C(C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(CCCC1)S(=O)(=O)N(C2=C(C=C(C=C2)F)Cl)C(=O)[C@H](C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C25H25ClFNO7S/c1-3-34-25(31)19-11-7-8-12-22(19)36(32,33)28(21-14-13-18(27)15-20(21)26)24(30)23(35-16(2)29)17-9-5-4-6-10-17/h4-6,9-10,13-15,23H,3,7-8,11-12H2,1-2H3/t23-/m0/s1