methyl 3-(3-fluoranyl-4-sulfamoyloxy-phenyl)sulfonyl-5-(1,2,4-triazol-1-ylmethyl)benzoate

Systemtic Name: methyl 3-(3-fluoranyl-4-sulfamoyloxy-phenyl)sulfonyl-5-(1,2,4-triazol-1-ylmethyl)benzoate Openeye Name: methyl 3-(3-fluoro-4-sulfamoyloxy-phenyl)sulfonyl-5-(1,2,4-triazol-1-ylmethyl)benzoate CAS Name: 3-(3-fluoro-4-sulfamoyloxyphenyl)sulfonyl-5-(1,2,4-triazol-1-ylmethyl)benzoic acid methyl ester IUPAC Name: methyl 3-(3-fluoro-4-sulfamoyloxyphenyl)sulfonyl-5-(1,2,4-triazol-1-ylmethyl)benzoate Traditional Name: 3-(3-fluoro-4-sulfamoyloxy-phenyl)sulfonyl-5-(1,2,4-triazol-1-ylmethyl)benzoic acid methyl ester Formula: C17H15FN4O7S2 MolecularWeight: 470.452003

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)OS(=O)(=O)N)F)CN3C=NC=N3

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)S(=O)(=O)C2=CC(=C(C=C2)OS(=O)(=O)N)F)CN3C=NC=N3

InChI

InChI=1S/C17H15FN4O7S2/c1-28-17(23)12-4-11(8-22-10-20-9-21-22)5-14(6-12)30(24,25)13-2-3-16(15(18)7-13)29-31(19,26)27/h2-7,9-10H,8H2,1H3,(H2,19,26,27)