(1-cyanoindolizin-2-yl)methyl 4-(butan-2-ylsulfamoyl)benzoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 4-(butan-2-ylsulfamoyl)benzoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 4-(sec-butylsulfamoyl)benzoate CAS Name: 4-(butan-2-ylsulfamoyl)benzoic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 4-(butan-2-ylsulfamoyl)benzoate Traditional Name: 4-(sec-butylsulfamoyl)benzoic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N

Isomeric SMILES

CCC(C)NS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC2=CN3C=CC=CC3=C2C#N

InChI

InChI=1S/C21H21N3O4S/c1-3-15(2)23-29(26,27)18-9-7-16(8-10-18)21(25)28-14-17-13-24-11-5-4-6-20(24)19(17)12-22/h4-11,13,15,23H,3,14H2,1-2H3