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

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 2-morpholin-4-yl-5-sulfamoyl-benzoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 2-morpholino-5-sulfamoyl-benzoate CAS Name: 2-(4-morpholinyl)-5-sulfamoylbenzoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 2-morpholin-4-yl-5-sulfamoylbenzoate Traditional Name: 2-morpholino-5-sulfamoyl-benzoic acid (2-methoxy-5-nitro-benzyl) ester Formula: C19H21N3O8S MolecularWeight: 451.45034

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)N3CCOCC3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)N3CCOCC3

InChI

InChI=1S/C19H21N3O8S/c1-28-18-5-2-14(22(24)25)10-13(18)12-30-19(23)16-11-15(31(20,26)27)3-4-17(16)21-6-8-29-9-7-21/h2-5,10-11H,6-9,12H2,1H3,(H2,20,26,27)