(1-cyanoindolizin-2-yl)methyl 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C17H12FN3O4S MolecularWeight: 373.358283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)F)C#N

Isomeric SMILES

C1=CC2=C(C(=CN2C=C1)COC(=O)C3=C(C=CC(=C3)S(=O)(=O)N)F)C#N

InChI

InChI=1S/C17H12FN3O4S/c18-15-5-4-12(26(20,23)24)7-13(15)17(22)25-10-11-9-21-6-2-1-3-16(21)14(11)8-19/h1-7,9H,10H2,(H2,20,23,24)