(1-phenylpyrazol-4-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Traditional Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C21H24N4O5S MolecularWeight: 444.50406

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5S/c1-24(2)31(28,29)18-8-9-20(22-10-11-26)19(12-18)21(27)30-15-16-13-23-25(14-16)17-6-4-3-5-7-17/h3-9,12-14,22,26H,10-11,15H2,1-2H3