(5-ethanoyl-2-methoxy-phenyl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoate Traditional Name: 5-(dimethylsulfamoyl)-2-(2-hydroxyethylamino)benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)NCCO

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N(C)C)NCCO

InChI

InChI=1S/C21H26N2O7S/c1-14(25)15-5-8-20(29-4)16(11-15)13-30-21(26)18-12-17(31(27,28)23(2)3)6-7-19(18)22-9-10-24/h5-8,11-12,22,24H,9-10,13H2,1-4H3