4-[(5-ethanoyl-2-ethoxy-phenyl)methoxy]-N,N-diethyl-3-nitro-benzenesulfonamide

Systemtic Name: 4-[(5-ethanoyl-2-ethoxy-phenyl)methoxy]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[(5-acetyl-2-ethoxy-phenyl)methoxy]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[(5-acetyl-2-ethoxyphenyl)methoxy]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[(5-acetyl-2-ethoxyphenyl)methoxy]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-(5-acetyl-2-ethoxy-benzyl)oxy-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C21H26N2O7S MolecularWeight: 450.50534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O7S/c1-5-22(6-2)31(27,28)18-9-11-21(19(13-18)23(25)26)30-14-17-12-16(15(4)24)8-10-20(17)29-7-3/h8-13H,5-7,14H2,1-4H3