(5-phenyl-1,2-oxazol-3-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate

Systemtic Name: (5-phenyl-1,2-oxazol-3-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Openeye Name: (5-phenylisoxazol-3-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid (5-phenyl-3-isoxazolyl)methyl ester IUPAC Name: (5-phenyl-1,2-oxazol-3-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Traditional Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid (5-phenylisoxazol-3-yl)methyl ester Formula: C21H23N3O6S MolecularWeight: 445.48882

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCO)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)NCCO)C(=O)OCC2=NOC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H23N3O6S/c1-24(2)31(27,28)17-8-9-19(22-10-11-25)18(13-17)21(26)29-14-16-12-20(30-23-16)15-6-4-3-5-7-15/h3-9,12-13,22,25H,10-11,14H2,1-2H3