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

Systemtic Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Openeye Name: (5-methyl-2-phenyl-oxazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate CAS Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (5-methyl-2-phenyl-4-oxazolyl)methyl ester IUPAC Name: (5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl 4-(2-cyanoethylsulfamoyl)benzoate Traditional Name: 4-(2-cyanoethylsulfamoyl)benzoic acid (5-methyl-2-phenyl-oxazol-4-yl)methyl ester Formula: C21H19N3O5S MolecularWeight: 425.45766

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CC=C2)COC(=O)C3=CC=C(C=C3)S(=O)(=O)NCCC#N

InChI

InChI=1S/C21H19N3O5S/c1-15-19(24-20(29-15)16-6-3-2-4-7-16)14-28-21(25)17-8-10-18(11-9-17)30(26,27)23-13-5-12-22/h2-4,6-11,23H,5,13-14H2,1H3