[3-(dimethylsulfamoyl)phenyl]methyl 4-morpholin-4-yl-3-nitro-benzoate

Systemtic Name: [3-(dimethylsulfamoyl)phenyl]methyl 4-morpholin-4-yl-3-nitro-benzoate Openeye Name: [3-(dimethylsulfamoyl)phenyl]methyl 4-morpholino-3-nitro-benzoate CAS Name: 4-(4-morpholinyl)-3-nitrobenzoic acid [3-(dimethylsulfamoyl)phenyl]methyl ester IUPAC Name: [3-(dimethylsulfamoyl)phenyl]methyl 4-morpholin-4-yl-3-nitrobenzoate Traditional Name: 4-morpholino-3-nitro-benzoic acid [3-(dimethylsulfamoyl)benzyl] ester Formula: C20H23N3O7S MolecularWeight: 449.47752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N3O7S/c1-21(2)31(27,28)17-5-3-4-15(12-17)14-30-20(24)16-6-7-18(19(13-16)23(25)26)22-8-10-29-11-9-22/h3-7,12-13H,8-11,14H2,1-2H3