(1-cyanoindolizin-2-yl)methyl 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-chloranyl-3-(oxolan-2-ylmethylsulfamoyl)benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-chloro-3-(tetrahydrofuran-2-ylmethylsulfamoyl)benzoate CAS Name: 4-chloro-3-(2-oxolanylmethylsulfamoyl)benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-chloro-3-(oxolan-2-ylmethylsulfamoyl)benzoate Traditional Name: 4-chloro-3-(tetrahydrofurfurylsulfamoyl)benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C22H20ClN3O5S MolecularWeight: 473.9293

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N)Cl

Isomeric SMILES

C1CC(OC1)CNS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=CN4C=CC=CC4=C3C#N)Cl

InChI

InChI=1S/C22H20ClN3O5S/c23-19-7-6-15(10-21(19)32(28,29)25-12-17-4-3-9-30-17)22(27)31-14-16-13-26-8-2-1-5-20(26)18(16)11-24/h1-2,5-8,10,13,17,25H,3-4,9,12,14H2