(2-methoxy-5-nitro-phenyl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate

Systemtic Name: (2-methoxy-5-nitro-phenyl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate Openeye Name: (2-methoxy-5-nitro-phenyl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate CAS Name: 3-[4-(diethylsulfamoyl)phenyl]propanoic acid (2-methoxy-5-nitrophenyl)methyl ester IUPAC Name: (2-methoxy-5-nitrophenyl)methyl 3-[4-(diethylsulfamoyl)phenyl]propanoate Traditional Name: 3-[4-(diethylsulfamoyl)phenyl]propionic acid (2-methoxy-5-nitro-benzyl) ester Formula: C21H26N2O7S MolecularWeight: 450.50534

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])OC

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)CCC(=O)OCC2=C(C=CC(=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C21H26N2O7S/c1-4-22(5-2)31(27,28)19-10-6-16(7-11-19)8-13-21(24)30-15-17-14-18(23(25)26)9-12-20(17)29-3/h6-7,9-12,14H,4-5,8,13,15H2,1-3H3