ethyl 6-[[2-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]cyclohexene-1-carboxylate

Systemtic Name: ethyl 6-[[2-fluoranyl-4-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]cyclohexene-1-carboxylate Openeye Name: ethyl 6-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]cyclohexene-1-carboxylate CAS Name: 6-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]cyclohexene-1-carboxylate Traditional Name: 6-[[2-fluoro-4-(1,2,4-triazol-1-yl)phenyl]sulfamoyl]cyclohexene-1-carboxylic acid ethyl ester Formula: C17H19FN4O4S MolecularWeight: 394.420563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCCCC1S(=O)(=O)NC2=C(C=C(C=C2)N3C=NC=N3)F

Isomeric SMILES

CCOC(=O)C1=CCCCC1S(=O)(=O)NC2=C(C=C(C=C2)N3C=NC=N3)F

InChI

InChI=1S/C17H19FN4O4S/c1-2-26-17(23)13-5-3-4-6-16(13)27(24,25)21-15-8-7-12(9-14(15)18)22-11-19-10-20-22/h5,7-11,16,21H,2-4,6H2,1H3