(1-cyanoindolizin-2-yl)methyl 3-(diethylsulfamoyl)benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 3-(diethylsulfamoyl)benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 3-(diethylsulfamoyl)benzoate CAS Name: 3-(diethylsulfamoyl)benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 3-(diethylsulfamoyl)benzoate Traditional Name: 3-(diethylsulfamoyl)benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C21H21N3O4S/c1-3-24(4-2)29(26,27)18-9-7-8-16(12-18)21(25)28-15-17-14-23-11-6-5-10-20(23)19(17)13-22/h5-12,14H,3-4,15H2,1-2H3