(2-methoxy-5-nitro-phenyl)methyl 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 5-(dimethylsulfamoyl)-2-morpholin-4-yl-benzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 5-(dimethylsulfamoyl)-2-morpholino-benzoate CAS Name: 5-(dimethylsulfamoyl)-2-(4-morpholinyl)benzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 5-(dimethylsulfamoyl)-2-morpholin-4-ylbenzoate Traditional Name: 5-(dimethylsulfamoyl)-2-morpholino-benzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C21H25N3O8S MolecularWeight: 479.5035

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC(=C(C=C1)N2CCOCC2)C(=O)OCC3=C(C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C21H25N3O8S/c1-22(2)33(28,29)17-5-6-19(23-8-10-31-11-9-23)18(13-17)21(25)32-14-15-12-16(24(26)27)4-7-20(15)30-3/h4-7,12-13H,8-11,14H2,1-3H3