(3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C16H17N3O5S MolecularWeight: 363.38828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC=C(C=C2)S(=O)(=O)NCCC#N

InChI

InChI=1S/C16H17N3O5S/c1-11-15(12(2)24-19-11)10-23-16(20)13-4-6-14(7-5-13)25(21,22)18-9-3-8-17/h4-7,18H,3,9-10H2,1-2H3